(1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol

C13H24O2 — CID 139248849

IUPAC(1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol
SMILESC=CCC(O)[C@@H](C)[C@H](O)C1CCCCC1
InChIInChI=1S/C13H24O2/c1-3-7-12(14)10(2)13(15)11-8-5-4-6-9-11/h3,10-15H,1,4-9H2,2H3/t10-,12?,13+/m1/s1
InChIKeyNAKDARIGCCLHRU-VBUNGHGYSA-N
MW212.33 g/mol
LogP2.50
Rot. Bonds5

About (1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol

(1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol (PubChem CID 139248849) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol.

Molecular Properties

Compound Name(1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol
PubChem CID139248849
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol
SMILESC=CCC(O)[C@@H](C)[C@H](O)C1CCCCC1
InChIInChI=1S/C13H24O2/c1-3-7-12(14)10(2)13(15)11-8-5-4-6-9-11/h3,10-15H,1,4-9H2,2H3/t10-,12?,13+/m1/s1
InChIKeyNAKDARIGCCLHRU-VBUNGHGYSA-N
XLogP2.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 66895376
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CID 13166988
2-cyclohexylpent-4-en-1-ol
CID 77257118
1-cyclohexylbut-3-enyl acetate
CID 11481011
1-cyclooctylbut-3-en-1-amine
CID 80604015
[(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane
CID 100966370
1-cycloheptylpropane-1,2-diol
CID 103452573
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
1-cyclobutyl-2,3-dimethylbutan-1-ol
CID 115837893
(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol
CID 12709664
2-cyclohexyl-N-methylpent-4-en-1-amine
CID 77230357

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol?
The IUPAC name of (1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol (CID 139248849) is (1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol.
What is the SMILES notation for (1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol?
The canonical SMILES for (1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol is C=CCC(O)[C@@H](C)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol?
The InChIKey is NAKDARIGCCLHRU-VBUNGHGYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-7-12(14)10(2)13(15)11-8-5-4-6-9-11/h3,10-15H,1,4-9H2,2H3/t10-,12?,13+/m1/s1.
What are the key properties of (1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol?
(1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol has a molecular weight of 212.33 g/mol, XLogP of 2.50, 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-methylhex-5-ene-1,3-diol is sourced from PubChem (CID 139248849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).