ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate

C10H18O3 — CID 69116253

IUPACethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCCC1CO
InChIInChI=1S/C10H18O3/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h8-9,11H,2-7H2,1H3
InChIKeyBEWUIIBZEPOQEW-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.35
Rot. Bonds3

About ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate

ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate (PubChem CID 69116253) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate
PubChem CID69116253
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCCC1CO
InChIInChI=1S/C10H18O3/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h8-9,11H,2-7H2,1H3
InChIKeyBEWUIIBZEPOQEW-UHFFFAOYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
[(1S,2S)-2-ethoxycarbonylcyclohexyl]azanium
CID 6946484
methyl (2R)-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 15712735
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550
tris(ethane-1,2-diol);2-ethoxycarbonylcyclohexane-1-carboxylic acid
CID 67954498
ethyl 2-iodocyclohexane-1-carboxylate
CID 153229288
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
cis-(1R,2S)-2-ethoxycarbonylcyclohexane-1-carboxylate
CID 71423369
cis-ethyl (1R,2S)-2-methoxycyclohexane-1-carboxylate
CID 57224472
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate (CID 69116253) is ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate is CCOC(=O)C1CCCCC1CO.
What is the InChIKey of ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate?
The InChIKey is BEWUIIBZEPOQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h8-9,11H,2-7H2,1H3.
What are the key properties of ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate?
ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hydroxymethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 69116253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).