5986-55-0
Product Name:
Patchouli alcohol
Formula:
C15H26O
Synonyms:
(1R,3R,6S)-2,2,6,8-Tetramethyltricyclo[5.3.1.03,8]undec-3-ol
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COMPUTED DESCRIPTORS
| Molecular Weight | 222.37 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 222.198365449 g/mol |
| Monoisotopic Mass | 222.198365449 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 321 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Patchouli alcohol is a carbotricyclic compound and sesquiterpenoid tertiary alcohol that is tricyclo[5.3.1.0(3,8)]undecan-3-ol which is substituted at positions 2, 2, 6 and 8 by methyl groups (the 1R,3R,6S,7S,8S-diastereoisomer). It is a tertiary alcohol, a sesquiterpenoid and a carbotricyclic compound.