1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol

C15H26O — CID 585258

IUPAC1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol
SMILESCC1CC=C2C(C)(C)CCCC2(C)C1(C)O
InChIInChI=1S/C15H26O/c1-11-7-8-12-13(2,3)9-6-10-14(12,4)15(11,5)16/h8,11,16H,6-7,9-10H2,1-5H3
InChIKeyGKVOSYCVNKHQSI-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.92
Rot. Bonds

About 1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol

1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol (PubChem CID 585258) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol
PubChem CID585258
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol
SMILESCC1CC=C2C(C)(C)CCCC2(C)C1(C)O
InChIInChI=1S/C15H26O/c1-11-7-8-12-13(2,3)9-6-10-14(12,4)15(11,5)16/h8,11,16H,6-7,9-10H2,1-5H3
InChIKeyGKVOSYCVNKHQSI-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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'}

Analyze 1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,8aR)-2,5,5,8a-tetramethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-one
CID 68532501
methyl (4aS,4bR)-1,1,4b,8,8-pentamethyl-4-oxo-3,5,6,7,10,10a-hexahydro-2H-phenanthrene-4a-carboxylate
CID 5314045
1,5,5,8a-tetramethyl-3,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 91239779
(2R,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1H-inden-2-ol
CID 129391882
(2S,4aS)-4a,8,8-trimethyl-2,3,4,5,6,7-hexahydronaphthalen-2-ol
CID 11458235
1-[(3aS,7R,7aR)-3a-hydroxy-7,7a-dimethyl-4,5,6,7-tetrahydro-3H-inden-1-yl]-2-methylpropan-1-one
CID 91747866
2a,5,5-trimethyl-3,6,7,8-tetrahydro-1H-indeno[1,7a-b]oxete
CID 102490541
(7S,8R,8aS)-4,4,7,8-tetramethyl-8-[(2Z)-3-methylpenta-2,4-dienyl]-1,2,3,6,7,8a-hexahydronaphthalene
CID 138964732
(1R,2R,3S,8aS)-1-[2-(furan-3-yl)ethyl]-2,5,5,8a-tetramethyl-3,6,7,8-tetrahydro-2H-naphthalene-1,3-diol
CID 163070912
4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one
CID 4196639
(1S,8R)-4,4,8-trimethyltricyclo[6.3.1.01,5]dodec-5-ene
CID 11148408
5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene
CID 163741635

Frequently Asked Questions

What is the IUPAC name of 1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol?
The IUPAC name of 1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol (CID 585258) is 1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol?
The canonical SMILES for 1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol is CC1CC=C2C(C)(C)CCCC2(C)C1(C)O.
What is the InChIKey of 1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol?
The InChIKey is GKVOSYCVNKHQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11-7-8-12-13(2,3)9-6-10-14(12,4)15(11,5)16/h8,11,16H,6-7,9-10H2,1-5H3.
What are the key properties of 1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol?
1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,5,8a-pentamethyl-3,6,7,8-tetrahydro-2H-naphthalen-1-ol is sourced from PubChem (CID 585258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).