cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate

C9H16O3 — CID 1268214

IUPACcis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyWOGRTPJVNNCUKN-SFYZADRCSA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds2

About cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate

cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate (PubChem CID 1268214) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate
PubChem CID1268214
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namecis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyWOGRTPJVNNCUKN-SFYZADRCSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Hydroxy-cyclohexyl)-acetic acid ethyl ester
CID 219250
2-Hydroxycyclohexanecarboxylic acid
CID 271816
trans-Ethyl 2-hydroxycyclohexanecarboxylate
CID 1268212
methyl (1S,2S)-2-hydroxycyclohexane-1-carboxylate
CID 642634
(2s,3r)-2-Hexyl-3-Hydroxynonanoic Acid
CID 53308656
(4R,5R)-4-hydroxy-5-tetradecyloxan-2-one
CID 44401894
Ethyl 2-hydroxycyclohexane-1-carboxylate
CID 303691
Bourgeanic acid
CID 10905154
rac-(1R,2R)-2-hydroxycyclohexane-1-carboxylic acid
CID 853571
(1R,2S)-2-hydroxycyclohexane-1-carboxylic acid
CID 853572
(3S,4S,6R)-3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one
CID 11013671
3-Hydroxy-2-methyloctanoic acid
CID 12561826

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate (CID 1268214) is cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate is CCOC(=O)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate?
The InChIKey is WOGRTPJVNNCUKN-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate?
cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate has a molecular weight of 172.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 1268214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).