(6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol

C25H42O — CID 143290315

IUPAC(6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol
SMILESCC(O)CCC[C@@H](C)C1CCC2/C(=C/C=C3CCCCC3)CCCC21C
InChIInChI=1S/C25H42O/c1-19(9-7-10-20(2)26)23-16-17-24-22(13-8-18-25(23,24)3)15-14-21-11-5-4-6-12-21/h14-15,19-20,23-24,26H,4-13,16-18H2,1-3H3/b22-15+/t19-,20?,23?,24?,25?/m1/s1
InChIKeyGURWXQBZFHYGRH-LATJATTNSA-N
MW358.61 g/mol
LogP7.21
Rot. Bonds6

About (6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol

(6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol (PubChem CID 143290315) has the molecular formula C25H42O and a molecular weight of 358.61 g/mol. Its IUPAC name is (6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol.

Molecular Properties

Compound Name(6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol
PubChem CID143290315
Molecular FormulaC25H42O
Molecular Weight358.61 g/mol
Exact Mass358.32
IUPAC Name(6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol
SMILESCC(O)CCC[C@@H](C)C1CCC2/C(=C/C=C3CCCCC3)CCCC21C
InChIInChI=1S/C25H42O/c1-19(9-7-10-20(2)26)23-16-17-24-22(13-8-18-25(23,24)3)15-14-21-11-5-4-6-12-21/h14-15,19-20,23-24,26H,4-13,16-18H2,1-3H3/b22-15+/t19-,20?,23?,24?,25?/m1/s1
InChIKeyGURWXQBZFHYGRH-LATJATTNSA-N
XLogP7.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-5-[(2E)-2-[(1R)-1-[(6S)-6-hydroxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 143831316
trans-(1R,3R)-5-[(2E)-2-[(3aS,7aR)-1-[(2R)-6-hydroxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 25025381
trans-(1R,3R)-5-[2-[(7aR)-1-[(2R,6S)-6-hydroxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylcyclohexane-1,3-diol
CID 123637139
(6R)-6-[(4E,7aR)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol
CID 143290297
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexan-1-ol
CID 87627665
5-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
CID 85045571
(4E)-4-[2-(3,5-dimethyl-4-methylidenecyclohexylidene)ethylidene]-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-indene
CID 20751368
(2S,5Z)-5-[(2E)-2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylcyclohexan-1-ol
CID 142820667
5-[2-[7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2,3-dimethylcyclohexan-1-ol
CID 123712759
(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 24779628
trans-(1R,3R)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-6-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 89289828
trans-(1R,3R)-5-[2-[(1R,3aS,7aR)-1-[(2S)-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 123776289

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol?
The IUPAC name of (6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol (CID 143290315) is (6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol.
What is the SMILES notation for (6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol?
The canonical SMILES for (6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol is CC(O)CCC[C@@H](C)C1CCC2/C(=C/C=C3CCCCC3)CCCC21C.
What is the InChIKey of (6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol?
The InChIKey is GURWXQBZFHYGRH-LATJATTNSA-N. The full InChI is InChI=1S/C25H42O/c1-19(9-7-10-20(2)26)23-16-17-24-22(13-8-18-25(23,24)3)15-14-21-11-5-4-6-12-21/h14-15,19-20,23-24,26H,4-13,16-18H2,1-3H3/b22-15+/t19-,20?,23?,24?,25?/m1/s1.
What are the key properties of (6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol?
(6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol has a molecular weight of 358.61 g/mol, XLogP of 7.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(4E)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-ol is sourced from PubChem (CID 143290315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).