trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid

C13H22O3 — CID 102532516

IUPACtrans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCCC[C@]1(O)C1CCCCC1
InChIInChI=1S/C13H22O3/c14-12(15)11-8-4-5-9-13(11,16)10-6-2-1-3-7-10/h10-11,16H,1-9H2,(H,14,15)/t11-,13+/m1/s1
InChIKeyRMJNPRBXWLMAGR-YPMHNXCESA-N
MW226.32 g/mol
LogP2.57
Rot. Bonds2

About trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid

trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid (PubChem CID 102532516) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid
PubChem CID102532516
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Nametrans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCCC[C@]1(O)C1CCCCC1
InChIInChI=1S/C13H22O3/c14-12(15)11-8-4-5-9-13(11,16)10-6-2-1-3-7-10/h10-11,16H,1-9H2,(H,14,15)/t11-,13+/m1/s1
InChIKeyRMJNPRBXWLMAGR-YPMHNXCESA-N
XLogP2.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone
CID 101090893
spiro[5.6]dodecane-12-carboxylic acid
CID 59513338
benzene;1-cyclohexylcyclohexane-1,2-dicarboxylic acid
CID 174291946
(1R)-2,2-difluorocycloheptane-1-carboxylic acid
CID 97297799
1-cyclohexyl-2-methylcyclohexan-1-ol
CID 43809284
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene-1-carboxylic acid
CID 154722372
1,4-dioxaspiro[4.6]undecane-6-carboxylic acid
CID 131629776
2,2-diformylcyclohexane-1-carboxylic acid
CID 87124247
(Z)-but-2-enedioic acid;trans-1-(diethylamino)propan-2-yl (1R,2R)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylate
CID 67928126
methane;1-methylcyclohexane-1,2-dicarboxylic acid
CID 173225702
1-methylcyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 159985709
2-cyclopentyl-2-methylcyclopropane-1-carboxylic acid
CID 62633940

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid (CID 102532516) is trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid is O=C(O)[C@H]1CCCC[C@]1(O)C1CCCCC1.
What is the InChIKey of trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is RMJNPRBXWLMAGR-YPMHNXCESA-N. The full InChI is InChI=1S/C13H22O3/c14-12(15)11-8-4-5-9-13(11,16)10-6-2-1-3-7-10/h10-11,16H,1-9H2,(H,14,15)/t11-,13+/m1/s1.
What are the key properties of trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid?
trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 102532516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).