2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol

C15H26O — CID 162883092

IUPAC2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol
SMILESCC1=C2CCC(C)(O)CC2C(C(C)C)CC1
InChIInChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)9-14(12)13/h10,12,14,16H,5-9H2,1-4H3
InChIKeyOYKYYOKNASFMLL-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.92
Rot. Bonds1

About 2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol

2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol (PubChem CID 162883092) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol
PubChem CID162883092
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol
SMILESCC1=C2CCC(C)(O)CC2C(C(C)C)CC1
InChIInChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)9-14(12)13/h10,12,14,16H,5-9H2,1-4H3
InChIKeyOYKYYOKNASFMLL-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

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delta-Cadinol
CID 3084311
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CID 9859337
Chamomillol
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CID 11831045
epi-alpha-Muurolol
CID 3084331
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CID 519662

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of 2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol (CID 162883092) is 2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for 2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol is CC1=C2CCC(C)(O)CC2C(C(C)C)CC1.
What is the InChIKey of 2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol?
The InChIKey is OYKYYOKNASFMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)9-14(12)13/h10,12,14,16H,5-9H2,1-4H3.
What are the key properties of 2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol?
2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-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 2,5-dimethyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 162883092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).