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

C13H24O2 — CID 11435805

IUPAC(1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol
SMILESC=C(C)[C@@](C)(CO)[C@H](O)C1CCCCC1
InChIInChI=1S/C13H24O2/c1-10(2)13(3,9-14)12(15)11-7-5-4-6-8-11/h11-12,14-15H,1,4-9H2,2-3H3/t12-,13-/m1/s1
InChIKeyRIHJYVCINVANTQ-CHWSQXEVSA-N
MW212.33 g/mol
LogP2.50
Rot. Bonds4

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

(1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol (PubChem CID 11435805) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol.

Molecular Properties

Compound Name(1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol
PubChem CID11435805
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol
SMILESC=C(C)[C@@](C)(CO)[C@H](O)C1CCCCC1
InChIInChI=1S/C13H24O2/c1-10(2)13(3,9-14)12(15)11-7-5-4-6-8-11/h11-12,14-15H,1,4-9H2,2-3H3/t12-,13-/m1/s1
InChIKeyRIHJYVCINVANTQ-CHWSQXEVSA-N
XLogP2.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.50
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

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CID 79064519
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CID 79046048
(2R,3R)-2,4-dimethyl-2-prop-1-en-2-ylpentane-1,3-diol
CID 14546142
(1R,2S)-1-cyclohexyl-2-prop-1-en-2-ylpropane-1,3-diol
CID 101259468
1-cyclooctyl-2-methylprop-2-en-1-ol
CID 115817273
2-(aminomethyl)-1-cycloheptyl-2-methylbutan-1-ol
CID 79126284
1-cyclohexyl-4,4-dimethyl-2-methylidenepentane-1,3-diol
CID 100941644
(2E)-1-cyclohexyl-2-ethyl-3,4-dimethylpenta-2,4-dien-1-ol
CID 132529865
1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 82932578
1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 82931304
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
2-cyclobutyl-2,3-dimethylbut-3-en-1-ol
CID 57304061

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol?
The IUPAC name of (1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol (CID 11435805) is (1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol.
What is the SMILES notation for (1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol?
The canonical SMILES for (1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol is C=C(C)[C@@](C)(CO)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol?
The InChIKey is RIHJYVCINVANTQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(2)13(3,9-14)12(15)11-7-5-4-6-8-11/h11-12,14-15H,1,4-9H2,2-3H3/t12-,13-/m1/s1.
What are the key properties of (1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol?
(1R,2S)-1-cyclohexyl-2-methyl-2-prop-1-en-2-ylpropane-1,3-diol has a molecular weight of 212.33 g/mol, XLogP of 2.50, 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-methyl-2-prop-1-en-2-ylpropane-1,3-diol is sourced from PubChem (CID 11435805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).