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

C26H44O — CID 163524434

IUPAC(6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
SMILESC[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3CCCCC3)CCC[C@]12C
InChIInChI=1S/C26H44O/c1-20(10-8-18-25(2,3)27)23-16-17-24-22(13-9-19-26(23,24)4)15-14-21-11-6-5-7-12-21/h14-15,20,23-24,27H,5-13,16-19H2,1-4H3/b22-15+/t20-,23-,24+,26-/m1/s1
InChIKeyDNNQYYDSDRXRKY-OMKKUIRNSA-N
MW372.64 g/mol
LogP7.60
Rot. Bonds6

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

(6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol (PubChem CID 163524434) has the molecular formula C26H44O and a molecular weight of 372.64 g/mol. Its IUPAC name is (6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol.

Molecular Properties

Compound Name(6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
PubChem CID163524434
Molecular FormulaC26H44O
Molecular Weight372.64 g/mol
Exact Mass372.34
IUPAC Name(6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
SMILESC[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3CCCCC3)CCC[C@]12C
InChIInChI=1S/C26H44O/c1-20(10-8-18-25(2,3)27)23-16-17-24-22(13-9-19-26(23,24)4)15-14-21-11-6-5-7-12-21/h14-15,20,23-24,27H,5-13,16-19H2,1-4H3/b22-15+/t20-,23-,24+,26-/m1/s1
InChIKeyDNNQYYDSDRXRKY-OMKKUIRNSA-N
XLogP7.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol with MolForge

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3-[2-[(3aS,7aR)-1-(5,6-dimethylhept-3-en-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 129010310

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol?
The IUPAC name of (6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol (CID 163524434) is (6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol.
What is the SMILES notation for (6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol?
The canonical SMILES for (6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol is C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3CCCCC3)CCC[C@]12C.
What is the InChIKey of (6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol?
The InChIKey is DNNQYYDSDRXRKY-OMKKUIRNSA-N. The full InChI is InChI=1S/C26H44O/c1-20(10-8-18-25(2,3)27)23-16-17-24-22(13-9-19-26(23,24)4)15-14-21-11-6-5-7-12-21/h14-15,20,23-24,27H,5-13,16-19H2,1-4H3/b22-15+/t20-,23-,24+,26-/m1/s1.
What are the key properties of (6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol?
(6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol has a molecular weight of 372.64 g/mol, XLogP of 7.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1R,3aS,4E,7aR)-4-(2-cyclohexylideneethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol is sourced from PubChem (CID 163524434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).