(1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol

C15H26O — CID 10656681

IUPAC(1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol
SMILESC=C(CCC=C(C)C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C15H26O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,12,14-16H,4-5,7-10H2,1-3H3/t12-,14+,15-/m1/s1
InChIKeyIGUWCHDPWVESLY-VHDGCEQUSA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds4

About (1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol

(1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol (PubChem CID 10656681) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol
PubChem CID10656681
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol
SMILESC=C(CCC=C(C)C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C15H26O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,12,14-16H,4-5,7-10H2,1-3H3/t12-,14+,15-/m1/s1
InChIKeyIGUWCHDPWVESLY-VHDGCEQUSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol with MolForge

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Related Compounds

(-)-Isopulegol
CID 170833
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-
CID 24585
2-Methyl-5-(1-methylethenyl)cyclohexanol
CID 12072
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2R,5R)-rel-
CID 443163
Dihydrocarveol, (+-)-
CID 89755
(1S,2R,5R)-2-Methyl-5-(1-methylethenyl)cyclohexanol
CID 443164
(1S,2S,4R)-iso-dihydrocarveol
CID 443165
Neoisopulegol
CID 6553885
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5R)-rel-
CID 443166
(1S,2R,4S)-neo-dihydrocarveol
CID 443184
(-)-Neoisodihydrocarveol
CID 443179
(-)-Isodihydrocarveol
CID 443180

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol (CID 10656681) is (1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol is C=C(CCC=C(C)C)[C@@H]1CC[C@@H](C)C[C@H]1O.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol?
The InChIKey is IGUWCHDPWVESLY-VHDGCEQUSA-N. The full InChI is InChI=1S/C15H26O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,12,14-16H,4-5,7-10H2,1-3H3/t12-,14+,15-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 10656681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).