2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol

C15H26O — CID 527256

IUPAC2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol
SMILESCC1CCCC2(C)CCC(C(C)(C)O)C=C12
InChIInChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h10-12,16H,5-9H2,1-4H3
InChIKeySRHDLIDOZXPROB-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.92
Rot. Bonds1

About 2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol

2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol (PubChem CID 527256) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol
PubChem CID527256
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol
SMILESCC1CCCC2(C)CCC(C(C)(C)O)C=C12
InChIInChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h10-12,16H,5-9H2,1-4H3
InChIKeySRHDLIDOZXPROB-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Alpha-eudesmol
CID 92762
p-Menth-3-en-1-ol
CID 11468
(+)-gamma-Eudesmol
CID 6432005
epi-alpha-Cadinol
CID 160799
Alpha-Cadinol
CID 10398656
Himachalol
CID 121536
1,2,3,4,4a,5,6,7-Octahydro-2,5,5-trimethyl-2-naphthalenol
CID 162452
10-epi-gamma-Eudesmol
CID 6430754
(-)-Drimenol
CID 3080551
Valerianol
CID 9859337
Chamomillol
CID 102095305
Cubenol
CID 11770062

Frequently Asked Questions

What is the IUPAC name of 2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol?
The IUPAC name of 2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol (CID 527256) is 2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol?
The canonical SMILES for 2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol is CC1CCCC2(C)CCC(C(C)(C)O)C=C12.
What is the InChIKey of 2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol?
The InChIKey is SRHDLIDOZXPROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol?
2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol has a molecular weight of 222.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol is sourced from PubChem (CID 527256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).