(1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol

C14H26O2 — CID 134903571

IUPAC(1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol
SMILESC=C(C)[C@H](C(O)CC)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H26O2/c1-4-12(15)13(10(2)3)14(16)11-8-6-5-7-9-11/h11-16H,2,4-9H2,1,3H3/t12?,13-,14-/m1/s1
InChIKeyYDTXYFKYTJCXCR-ILMHWDKJSA-N
MW226.36 g/mol
LogP2.89
Rot. Bonds5

About (1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol

(1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol (PubChem CID 134903571) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol.

Molecular Properties

Compound Name(1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol
PubChem CID134903571
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol
SMILESC=C(C)[C@H](C(O)CC)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H26O2/c1-4-12(15)13(10(2)3)14(16)11-8-6-5-7-9-11/h11-16H,2,4-9H2,1,3H3/t12?,13-,14-/m1/s1
InChIKeyYDTXYFKYTJCXCR-ILMHWDKJSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.89
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

(-)-Isopulegol
CID 170833
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-
CID 24585
3,7-Dimethyl-7-octen-1-ol
CID 543323
2-Methyl-5-(1-methylethenyl)cyclohexanol
CID 12072
Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1R,2R,5R)-rel-
CID 443163
Rhodinol
CID 81263
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

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol?
The IUPAC name of (1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol (CID 134903571) is (1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol.
What is the SMILES notation for (1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol?
The canonical SMILES for (1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol is C=C(C)[C@H](C(O)CC)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol?
The InChIKey is YDTXYFKYTJCXCR-ILMHWDKJSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-12(15)13(10(2)3)14(16)11-8-6-5-7-9-11/h11-16H,2,4-9H2,1,3H3/t12?,13-,14-/m1/s1.
What are the key properties of (1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol?
(1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol has a molecular weight of 226.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol is sourced from PubChem (CID 134903571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).