patchoulol

patchoulol

CAS: 5986-55-0

Formula: C15H26O

SMILES: [H][C@@]12CC[C@@]3(C)[C@@]([H])(C1)[C@@H](C)CC[C@@]3(O)C2(C)C

IUPAC: (1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.0³,⁸]undecan-3-ol

InChI: InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,14+,15-/m0/s1

Composition: C (81.02%), H (11.79%), O (7.19%)

Molar Mass: 222.372

Atom Count: 42

Heavy Atom Count: 16

Properties

Properties

Common Names	(-)-patchouli alcohol; (-)-patchoulol; patchoulanol; patchouli alcohol; patchouli camphor; patchoulic alcohol; patchoulol
Aromatic Ring Count	0
Asymmetric Atom Count	5
Exact Mass	222.198365457
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	GGHMUJBZYLPWFD-CUZKYEQNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.22
Topological Polar Surface Area	20.23
Polarizability	26.8
Ring Count	3
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	5986-55-0		$23.38-$65.45$23.38$32.73$65.45