trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate

C9H16O3 — CID 1268212

IUPACtrans-ethyl (1R,2R)-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-HTQZYQBOSA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds2

About trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate

trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate (PubChem CID 1268212) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
PubChem CID1268212
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Nametrans-ethyl (1R,2R)-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-HTQZYQBOSA-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 trans-ethyl (1R,2R)-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

ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate
CID 22258605
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550
ethyl 2-tert-butylcyclohexane-1-carboxylate
CID 67415687
ethyl (2S)-2-propan-2-ylcyclohexane-1-carboxylate
CID 58682733
cis-(1R,2S)-2-ethoxycarbonylcyclohexane-1-carboxylate
CID 71423369
ethyl 2-iodocyclohexane-1-carboxylate
CID 153229288
[(1S,2S)-2-ethoxycarbonylcyclohexyl]azanium
CID 6946484
CID 160859298
CID 160859298
ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate
CID 69116253
cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate
CID 57224472
ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate
CID 117046513

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate (CID 1268212) is trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate is CCOC(=O)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate?
The InChIKey is WOGRTPJVNNCUKN-HTQZYQBOSA-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 trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate?
trans-ethyl (1R,2R)-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 trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 1268212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).