1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol

C20H32O — CID 143166298

IUPAC1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol
SMILESCCC(O)CCC1(C)C=CC=C2C1CCC1(C)CCCC21
InChIInChI=1S/C20H32O/c1-4-15(21)9-13-19(2)11-5-7-16-17-8-6-12-20(17,3)14-10-18(16)19/h5,7,11,15,17-18,21H,4,6,8-10,12-14H2,1-3H3
InChIKeyWBKBSGSUSYBRGH-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.26
Rot. Bonds4

About 1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol

1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol (PubChem CID 143166298) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol.

Molecular Properties

Compound Name1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol
PubChem CID143166298
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol
SMILESCCC(O)CCC1(C)C=CC=C2C1CCC1(C)CCCC21
InChIInChI=1S/C20H32O/c1-4-15(21)9-13-19(2)11-5-7-16-17-8-6-12-20(17,3)14-10-18(16)19/h5,7,11,15,17-18,21H,4,6,8-10,12-14H2,1-3H3
InChIKeyWBKBSGSUSYBRGH-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol?
The IUPAC name of 1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol (CID 143166298) is 1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol.
What is the SMILES notation for 1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol?
The canonical SMILES for 1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol is CCC(O)CCC1(C)C=CC=C2C1CCC1(C)CCCC21.
What is the InChIKey of 1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol?
The InChIKey is WBKBSGSUSYBRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-4-15(21)9-13-19(2)11-5-7-16-17-8-6-12-20(17,3)14-10-18(16)19/h5,7,11,15,17-18,21H,4,6,8-10,12-14H2,1-3H3.
What are the key properties of 1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol?
1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol has a molecular weight of 288.48 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3a,6-dimethyl-2,3,4,5,5a,9b-hexahydro-1H-cyclopenta[a]naphthalen-6-yl)pentan-3-ol is sourced from PubChem (CID 143166298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).