5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol

C15H26O2 — CID 73311311

IUPAC5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol
SMILESCC(C)C1CCC(CO)=C2CCC(C)(O)CC21
InChIInChI=1S/C15H26O2/c1-10(2)12-5-4-11(9-16)13-6-7-15(3,17)8-14(12)13/h10,12,14,16-17H,4-9H2,1-3H3
InChIKeyAEIGTUFAPRNEKB-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds2

About 5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol

5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol (PubChem CID 73311311) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol
PubChem CID73311311
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol
SMILESCC(C)C1CCC(CO)=C2CCC(C)(O)CC21
InChIInChI=1S/C15H26O2/c1-10(2)12-5-4-11(9-16)13-6-7-15(3,17)8-14(12)13/h10,12,14,16-17H,4-9H2,1-3H3
InChIKeyAEIGTUFAPRNEKB-UHFFFAOYSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-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

(1S,4S,4aR,8aS)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 25195166
1-methyl-3-(3-methylbutyl)cyclohexan-1-ol
CID 18356810
1-methyl-3-(2-methylpropyl)cycloheptan-1-ol
CID 18356800
1-methylcyclohexane-1,4-diol;2-methylpropane-1,3-diol
CID 70350991
1,2-dimethyl-3-propan-2-ylcyclohexan-1-ol
CID 22561619
5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 22117962
3-(2-aminopropyl)-1-methylcyclohexan-1-ol
CID 84731931
4-(5,5-dimethyl-2-propan-2-ylcyclohexyl)phenol
CID 142848470
1,1-dimethyl-3,4-di(propan-2-yl)cycloheptane
CID 166560829
1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide
CID 139383920
(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174920728

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol (CID 73311311) is 5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol is CC(C)C1CCC(CO)=C2CCC(C)(O)CC21.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol?
The InChIKey is AEIGTUFAPRNEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)12-5-4-11(9-16)13-6-7-15(3,17)8-14(12)13/h10,12,14,16-17H,4-9H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol?
5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol has a molecular weight of 238.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 73311311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).