5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol

C19H32O2 — CID 557141

IUPAC5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)CCC1C(=C)CCC2C(C)CCCC12CO
InChIInChI=1S/C19H32O2/c1-5-18(4,21)12-10-17-15(3)8-9-16-14(2)7-6-11-19(16,17)13-20/h5,14,16-17,20-21H,1,3,6-13H2,2,4H3
InChIKeyXDPNUSLKPMBKNV-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.08
Rot. Bonds5

About 5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol

5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol (PubChem CID 557141) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol.

Molecular Properties

Compound Name5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
PubChem CID557141
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)CCC1C(=C)CCC2C(C)CCCC12CO
InChIInChI=1S/C19H32O2/c1-5-18(4,21)12-10-17-15(3)8-9-16-14(2)7-6-11-19(16,17)13-20/h5,14,16-17,20-21H,1,3,6-13H2,2,4H3
InChIKeyXDPNUSLKPMBKNV-UHFFFAOYSA-N
XLogP4.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol with MolForge

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Related Compounds

(3S)-5-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
CID 154497742
(3S)-5-[(5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol
CID 6708597
(4aS,8R,8aS)-8-[(3R)-3-hydroxy-3-methylpent-4-enyl]-4,4,8a-trimethyl-7-methylidene-1,2,3,5,6,8-hexahydronaphthalen-4a-ol
CID 15275882
8-(3-hydroxy-3-methylpent-4-enyl)-4,4,8a-trimethyl-7-methylidene-1,2,3,5,6,8-hexahydronaphthalen-4a-ol
CID 163094722
5-[(1R,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol
CID 166035410
5-[(3S)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
CID 23425299
6-(4a,5,8a-trimethyl-2-methylidene-3,4,5,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylhex-1-en-3-ol
CID 163107799
(3S)-5-[(1S,6R,8aS)-6-bromo-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-1-en-3-ol
CID 162959702
(2S,4aR,8S,8aS)-8-[(3S)-3-hydroxy-3-methylpent-4-enyl]-4,4,8a-trimethyl-7-methylidene-2,3,4a,5,6,8-hexahydro-1H-naphthalen-2-ol
CID 163092938
methyl (1R,4aR,5S,8aR)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
CID 162950880
5-[6-bromo-2-(3-hydroxy-3-methylpent-4-enyl)-1-methyl-3-methylidenecyclohexyl]-2-methylpentane-2,3-diol
CID 162970337
4-[[5-(3-hydroxy-3-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoic acid
CID 75179833

Frequently Asked Questions

What is the IUPAC name of 5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol?
The IUPAC name of 5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol (CID 557141) is 5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol.
What is the SMILES notation for 5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol?
The canonical SMILES for 5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol is C=CC(C)(O)CCC1C(=C)CCC2C(C)CCCC12CO.
What is the InChIKey of 5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol?
The InChIKey is XDPNUSLKPMBKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-5-18(4,21)12-10-17-15(3)8-9-16-14(2)7-6-11-19(16,17)13-20/h5,14,16-17,20-21H,1,3,6-13H2,2,4H3.
What are the key properties of 5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol?
5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol has a molecular weight of 292.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8a-(hydroxymethyl)-5-methyl-2-methylidene-1,3,4,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol is sourced from PubChem (CID 557141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).