7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol

C20H32O2 — CID 14632983

IUPAC7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol
SMILESC=C1CCC2C(C)(CCC=C(C)C)CCCC23C(O)OCC13
InChIInChI=1S/C20H32O2/c1-14(2)7-5-10-19(4)11-6-12-20-16(13-22-18(20)21)15(3)8-9-17(19)20/h7,16-18,21H,3,5-6,8-13H2,1-2,4H3
InChIKeyCNTQSPORMWRWPD-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.84
Rot. Bonds3

About 7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol

7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol (PubChem CID 14632983) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol.

Molecular Properties

Compound Name7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol
PubChem CID14632983
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol
SMILESC=C1CCC2C(C)(CCC=C(C)C)CCCC23C(O)OCC13
InChIInChI=1S/C20H32O2/c1-14(2)7-5-10-19(4)11-6-12-20-16(13-22-18(20)21)15(3)8-9-17(19)20/h7,16-18,21H,3,5-6,8-13H2,1-2,4H3
InChIKeyCNTQSPORMWRWPD-UHFFFAOYSA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol with MolForge

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Related Compounds

[(1R,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol
CID 164614084
[(1S,4aS,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol
CID 162860414
(1R,4aS,5S,8aS)-5,8a-dimethyl-5-(4-methylpent-3-enyl)-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
CID 14285716
(1R,5aS,6R,9R,9aS,9bS)-6,9a-dimethyl-6-(4-methylpent-3-enyl)-1,3,5,5a,7,8,9,9b-octahydrobenzo[g][2]benzofuran-1,9-diol
CID 15764841
(Z)-5-[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-ol
CID 162958293
(1S)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
CID 90472923
methyl 3-[(1R,4aR,5S,6S,8aR)-6-[tert-butyl(dimethyl)silyl]oxy-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoate
CID 11431500
(NZ)-N-[(Z)-8-[(1S,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-6-methyloct-5-en-2-ylidene]hydroxylamine
CID 7075053
[5-[(3-ethenyl-2,3-dimethyloxiran-2-yl)methyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methanol
CID 162892483
(E)-4-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-(oxiran-2-yl)but-2-enal
CID 10590506
2-ethenyl-2,6-dimethyl-6-(4-methylpent-3-enyl)oxane
CID 91750490
(1S,5R)-6-methyl-6-(4-methylpent-3-enyl)-3-oxabicyclo[3.1.0]hexane
CID 101410501

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol?
The IUPAC name of 7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol (CID 14632983) is 7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol.
What is the SMILES notation for 7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol?
The canonical SMILES for 7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol is C=C1CCC2C(C)(CCC=C(C)C)CCCC23C(O)OCC13.
What is the InChIKey of 7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol?
The InChIKey is CNTQSPORMWRWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-14(2)7-5-10-19(4)11-6-12-20-16(13-22-18(20)21)15(3)8-9-17(19)20/h7,16-18,21H,3,5-6,8-13H2,1-2,4H3.
What are the key properties of 7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol?
7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol has a molecular weight of 304.47 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-methylidene-7-(4-methylpent-3-enyl)-3,3a,5,6,6a,8,9,10-octahydro-1H-benzo[h][2]benzofuran-1-ol is sourced from PubChem (CID 14632983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).