(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol

C10H20O2 — CID 12709664

IUPAC(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol
SMILESC[C@H](CO)[C@H](O)C1CCCCC1
InChIInChI=1S/C10H20O2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h8-12H,2-7H2,1H3/t8-,10+/m1/s1
InChIKeyVYZBHLWIWOZNBP-SCZZXKLOSA-N
MW172.27 g/mol
LogP1.56
Rot. Bonds3

About (1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol

(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol (PubChem CID 12709664) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol
PubChem CID12709664
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol
SMILESC[C@H](CO)[C@H](O)C1CCCCC1
InChIInChI=1S/C10H20O2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h8-12H,2-7H2,1H3/t8-,10+/m1/s1
InChIKeyVYZBHLWIWOZNBP-SCZZXKLOSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyclohexyl-2-cyclopentylethane-1,2-diol
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CID 101259468
1-cyclohexylpentane-1,4-diol
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3-cyclododecylbutan-2-ol
CID 10444334
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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol?
The IUPAC name of (1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol (CID 12709664) is (1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol.
What is the SMILES notation for (1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol?
The canonical SMILES for (1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol is C[C@H](CO)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol?
The InChIKey is VYZBHLWIWOZNBP-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(7-11)10(12)9-5-3-2-4-6-9/h8-12H,2-7H2,1H3/t8-,10+/m1/s1.
What are the key properties of (1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol?
(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol has a molecular weight of 172.27 g/mol, XLogP of 1.56, 3 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-methylpropane-1,3-diol is sourced from PubChem (CID 12709664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).