1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol

C18H30O2 — CID 90870442

IUPAC1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol
SMILESCC(CCCC(C)(C)O)=C1CC=C2C(O)CCCC21C
InChIInChI=1S/C18H30O2/c1-13(7-5-11-17(2,3)20)14-9-10-15-16(19)8-6-12-18(14,15)4/h10,16,19-20H,5-9,11-12H2,1-4H3
InChIKeyGSENFGXSJMZFIJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.13
Rot. Bonds4

About 1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol

1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol (PubChem CID 90870442) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol.

Molecular Properties

Compound Name1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol
PubChem CID90870442
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol
SMILESCC(CCCC(C)(C)O)=C1CC=C2C(O)CCCC21C
InChIInChI=1S/C18H30O2/c1-13(7-5-11-17(2,3)20)14-9-10-15-16(19)8-6-12-18(14,15)4/h10,16,19-20H,5-9,11-12H2,1-4H3
InChIKeyGSENFGXSJMZFIJ-UHFFFAOYSA-N
XLogP4.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one
CID 130145147
(E,2R,4R,8E)-8-[(1E,7aS)-1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]-6-methyl-3-methylideneoct-6-ene-2,4-diol
CID 89075776
trans-(1R,3R)-5-[(2E)-2-[(3S)-2-ethyl-3-[(E)-7-hydroxy-3,7-dimethyloct-2-en-2-yl]-3-methylcyclohexylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 89075791
5-[2-[1-(5-hydroxy-5-methylhexylidene)-7a-methyl-2,3,3a,5,6,7-hexahydroinden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 75068216
trans-(1R,3R)-5-[2-[(1R,3aS,7aR)-1-(6-hydroxy-6-methylhept-1-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 91376892
trans-(1R,3R)-5-[(2E)-2-[1-(6-hydroxy-6-methylhept-1-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 143925045
(3Z)-3-[(2E)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
CID 142115399
trans-(1R,3S,5Z)-5-[(2E)-2-[(3aS,7R,7aS)-7-(7-hydroxy-7-methyloctyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 11597177
17-(2-hydroxy-6-methylhept-6-en-2-yl)-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 163135460
4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol
CID 79361847
(3R)-5-[3-[(1R,4S,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-2-(4-hydroxy-4-methylpentyl)cyclopropen-1-yl]-2-methylpentane-2,3-diol
CID 163564525
(1S)-3-[(E)-2-[(7aR)-1-(5-hydroxy-5-methylhexyl)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-methylcyclohex-2-en-1-ol;propane-1,3-diol
CID 143086971

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol?
The IUPAC name of 1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol (CID 90870442) is 1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol.
What is the SMILES notation for 1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol?
The canonical SMILES for 1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol is CC(CCCC(C)(C)O)=C1CC=C2C(O)CCCC21C.
What is the InChIKey of 1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol?
The InChIKey is GSENFGXSJMZFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-13(7-5-11-17(2,3)20)14-9-10-15-16(19)8-6-12-18(14,15)4/h10,16,19-20H,5-9,11-12H2,1-4H3.
What are the key properties of 1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol?
1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol has a molecular weight of 278.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol is sourced from PubChem (CID 90870442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).