(2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol

C10H20O3 — CID 162960819

IUPAC(2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol
SMILESC[C@@](O)(CO)C1CCC(CO)CC1
InChIInChI=1S/C10H20O3/c1-10(13,7-12)9-4-2-8(6-11)3-5-9/h8-9,11-13H,2-7H2,1H3/t8?,9?,10-/m1/s1
InChIKeyAYKAYXCATARIHK-UDNWOFFPSA-N
MW188.27 g/mol
LogP0.53
Rot. Bonds3

About (2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol

(2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol (PubChem CID 162960819) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol
PubChem CID162960819
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol
SMILESC[C@@](O)(CO)C1CCC(CO)CC1
InChIInChI=1S/C10H20O3/c1-10(13,7-12)9-4-2-8(6-11)3-5-9/h8-9,11-13H,2-7H2,1H3/t8?,9?,10-/m1/s1
InChIKeyAYKAYXCATARIHK-UDNWOFFPSA-N
XLogP0.53
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol
CID 19012640
2,2-dimethylpropane-1,3-diol;[4-(hydroxymethyl)cyclohexyl]methanol;2-methylpropane-1,3-diol
CID 70403798
(4-bromocyclohexyl)methanol
CID 20705723
cyclobutylmethanol;ethanol
CID 68532840
(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
CID 171842996
cyclotetradecylmethanol
CID 23468347
ethane;(4-methylcyclohexyl)methanol
CID 142233866
[(1R,3R)-3-(2,2-dimethylpropyl)cyclopentyl]methanol
CID 59479700
1-(ethylamino)-2-(4-ethylcyclohexyl)propan-2-ol
CID 66037701
[4-(hydroxymethyl)cyclohexyl]methanol;oxirane
CID 87065906
2-cyclopropylpent-4-yn-2-ol
CID 10654223
[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899859

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol?
The IUPAC name of (2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol (CID 162960819) is (2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol.
What is the SMILES notation for (2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol?
The canonical SMILES for (2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol is C[C@@](O)(CO)C1CCC(CO)CC1.
What is the InChIKey of (2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol?
The InChIKey is AYKAYXCATARIHK-UDNWOFFPSA-N. The full InChI is InChI=1S/C10H20O3/c1-10(13,7-12)9-4-2-8(6-11)3-5-9/h8-9,11-13H,2-7H2,1H3/t8?,9?,10-/m1/s1.
What are the key properties of (2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol?
(2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol has a molecular weight of 188.27 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(hydroxymethyl)cyclohexyl]propane-1,2-diol is sourced from PubChem (CID 162960819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).