(2R)-2-cyclohexylpropane-1,2-diol

C9H18O2 — CID 15564978

IUPAC(2R)-2-cyclohexylpropane-1,2-diol
SMILESC[C@](O)(CO)C1CCCCC1
InChIInChI=1S/C9H18O2/c1-9(11,7-10)8-5-3-2-4-6-8/h8,10-11H,2-7H2,1H3/t9-/m0/s1
InChIKeyWSIIMESZNUTCBS-VIFPVBQESA-N
MW158.24 g/mol
LogP1.31
Rot. Bonds2

About (2R)-2-cyclohexylpropane-1,2-diol

(2R)-2-cyclohexylpropane-1,2-diol (PubChem CID 15564978) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2R)-2-cyclohexylpropane-1,2-diol.

Molecular Properties

Compound Name(2R)-2-cyclohexylpropane-1,2-diol
PubChem CID15564978
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2R)-2-cyclohexylpropane-1,2-diol
SMILESC[C@](O)(CO)C1CCCCC1
InChIInChI=1S/C9H18O2/c1-9(11,7-10)8-5-3-2-4-6-8/h8,10-11H,2-7H2,1H3/t9-/m0/s1
InChIKeyWSIIMESZNUTCBS-VIFPVBQESA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-Dimethyl-1,7-octanediol
CID 249494
2-Cyclohexylpropanol
CID 79509
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CID 107175
2-Isopropylcyclohexan-1-ol
CID 95331
Cyclohexaneethanol, beta-methyl-4-(1-methylethyl)-
CID 106731
4-Menthane-1,7,8-triol
CID 126863
2-Cyclohexyl-1,3-propanediol
CID 15293
Cimepanol
CID 65765
(-)-1-Cyclohexyl-1-pentanol
CID 145270
Cyclohexaneethanol, 4-(1-methylethyl)-
CID 77212
Cyclohexanemethanol, alpha,alpha-dimethyl-
CID 85531
2-Methyl 5-cyclohexylpentanol
CID 44192644

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexylpropane-1,2-diol?
The IUPAC name of (2R)-2-cyclohexylpropane-1,2-diol (CID 15564978) is (2R)-2-cyclohexylpropane-1,2-diol.
What is the SMILES notation for (2R)-2-cyclohexylpropane-1,2-diol?
The canonical SMILES for (2R)-2-cyclohexylpropane-1,2-diol is C[C@](O)(CO)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexylpropane-1,2-diol?
The InChIKey is WSIIMESZNUTCBS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18O2/c1-9(11,7-10)8-5-3-2-4-6-8/h8,10-11H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-cyclohexylpropane-1,2-diol?
(2R)-2-cyclohexylpropane-1,2-diol has a molecular weight of 158.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexylpropane-1,2-diol is sourced from PubChem (CID 15564978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).