[5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol

C15H26O3 — CID 75528935

IUPAC[5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
SMILESCC1=CCC2C(C)(CO)CCCC2(CO)C1CO
InChIInChI=1S/C15H26O3/c1-11-4-5-13-14(2,9-17)6-3-7-15(13,10-18)12(11)8-16/h4,12-13,16-18H,3,5-10H2,1-2H3
InChIKeyFUVVLIGUEPFKDK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.72
Rot. Bonds3

About [5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol

[5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol (PubChem CID 75528935) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is [5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol.

Molecular Properties

Compound Name[5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
PubChem CID75528935
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name[5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
SMILESCC1=CCC2C(C)(CO)CCCC2(CO)C1CO
InChIInChI=1S/C15H26O3/c1-11-4-5-13-14(2,9-17)6-3-7-15(13,10-18)12(11)8-16/h4,12-13,16-18H,3,5-10H2,1-2H3
InChIKeyFUVVLIGUEPFKDK-UHFFFAOYSA-N
XLogP1.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol?
The IUPAC name of [5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol (CID 75528935) is [5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol.
What is the SMILES notation for [5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol?
The canonical SMILES for [5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol is CC1=CCC2C(C)(CO)CCCC2(CO)C1CO.
What is the InChIKey of [5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol?
The InChIKey is FUVVLIGUEPFKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-11-4-5-13-14(2,9-17)6-3-7-15(13,10-18)12(11)8-16/h4,12-13,16-18H,3,5-10H2,1-2H3.
What are the key properties of [5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol?
[5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol has a molecular weight of 254.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,8a-bis(hydroxymethyl)-2,5-dimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol is sourced from PubChem (CID 75528935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).