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

C12H22O2 — CID 101259468

IUPAC(1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol
SMILESC=C(C)[C@@H](CO)[C@H](O)C1CCCCC1
InChIInChI=1S/C12H22O2/c1-9(2)11(8-13)12(14)10-6-4-3-5-7-10/h10-14H,1,3-8H2,2H3/t11-,12-/m1/s1
InChIKeyPAIRCOAVGYHBPA-VXGBXAGGSA-N
MW198.31 g/mol
LogP2.11
Rot. Bonds4

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

(1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol (PubChem CID 101259468) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol.

Molecular Properties

Compound Name(1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol
PubChem CID101259468
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol
SMILESC=C(C)[C@@H](CO)[C@H](O)C1CCCCC1
InChIInChI=1S/C12H22O2/c1-9(2)11(8-13)12(14)10-6-4-3-5-7-10/h10-14H,1,3-8H2,2H3/t11-,12-/m1/s1
InChIKeyPAIRCOAVGYHBPA-VXGBXAGGSA-N
XLogP2.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclooctyl-2-methylprop-2-en-1-ol
CID 115817273
(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol
CID 12709664
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
1-cyclohexyl-3-methylidenebutane-1,4-diol
CID 10241499
(1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol
CID 11435805
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]butanoic acid
CID 94426880
1-cycloheptylpropane-1,2-diol
CID 103452573
(1-ethoxy-2-methylprop-2-enyl)cyclohexane
CID 139654619
(2S)-2-cyclooctylbutan-1-ol
CID 122210665
1-cyclohexyl-1-hydroxy-4-methylpent-4-en-2-one
CID 103457687

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol?
The IUPAC name of (1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol (CID 101259468) is (1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol.
What is the SMILES notation for (1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol?
The canonical SMILES for (1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol is C=C(C)[C@@H](CO)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol?
The InChIKey is PAIRCOAVGYHBPA-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(2)11(8-13)12(14)10-6-4-3-5-7-10/h10-14H,1,3-8H2,2H3/t11-,12-/m1/s1.
What are the key properties of (1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol?
(1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol has a molecular weight of 198.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol is sourced from PubChem (CID 101259468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).