(E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol

C13H24O — CID 11469654

IUPAC(E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol
SMILESCC(C)(C)/C=C/[C@H](O)C1CCCCC1
InChIInChI=1S/C13H24O/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h9-12,14H,4-8H2,1-3H3/b10-9+/t12-/m0/s1
InChIKeyWMIWVOJHKNMZSP-VMPCVLLUSA-N
MW196.33 g/mol
LogP3.53
Rot. Bonds2

About (E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol

(E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol (PubChem CID 11469654) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol
PubChem CID11469654
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol
SMILESCC(C)(C)/C=C/[C@H](O)C1CCCCC1
InChIInChI=1S/C13H24O/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h9-12,14H,4-8H2,1-3H3/b10-9+/t12-/m0/s1
InChIKeyWMIWVOJHKNMZSP-VMPCVLLUSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Perillyl Alcohol
CID 10819
Carveol
CID 7438
Perilla alcohol
CID 369312
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
Menthadienol
CID 527143
(+)-Perillyl alcohol
CID 11788398
p-Menth-1-en-3-ol
CID 10282
beta-Nootkatol
CID 182645
(+)-cis-Carveol
CID 443177
3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol
CID 527822
cis-Piperitol
CID 85567

Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol?
The IUPAC name of (E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol (CID 11469654) is (E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol.
What is the SMILES notation for (E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol?
The canonical SMILES for (E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol is CC(C)(C)/C=C/[C@H](O)C1CCCCC1.
What is the InChIKey of (E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol?
The InChIKey is WMIWVOJHKNMZSP-VMPCVLLUSA-N. The full InChI is InChI=1S/C13H24O/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h9-12,14H,4-8H2,1-3H3/b10-9+/t12-/m0/s1.
What are the key properties of (E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol?
(E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1-cyclohexyl-4,4-dimethylpent-2-en-1-ol is sourced from PubChem (CID 11469654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).