methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate

C15H26O3 — CID 141100977

IUPACmethyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate
SMILESCCOC1CCCC1(C(=O)OC)C1CCCCC1
InChIInChI=1S/C15H26O3/c1-3-18-13-10-7-11-15(13,14(16)17-2)12-8-5-4-6-9-12/h12-13H,3-11H2,1-2H3
InChIKeyIFJNQSNIDSUEQN-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.32
Rot. Bonds4

About methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate

methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate (PubChem CID 141100977) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate
PubChem CID141100977
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Namemethyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate
SMILESCCOC1CCCC1(C(=O)OC)C1CCCCC1
InChIInChI=1S/C15H26O3/c1-3-18-13-10-7-11-15(13,14(16)17-2)12-8-5-4-6-9-12/h12-13H,3-11H2,1-2H3
InChIKeyIFJNQSNIDSUEQN-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate
CID 141100854
ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate
CID 141101066
2-methylpropyl 1-cyclopentyl-2-phenylmethoxycyclopentane-1-carboxylate
CID 141100936
2-methylpropyl 1-cyclopentyl-2-[(4-methylphenyl)methoxy]cyclopentane-1-carboxylate
CID 141100914
methyl 2-ethoxy-1-methylcyclopropane-1-carboxylate
CID 13207562
2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate
CID 141100873
dimethyl 2-oxo-1,3,3a,4,5,6-hexahydropentalene-1,6a-dicarboxylate
CID 86185382
1-butyl-2-ethoxycycloundecane-1-carboxylic acid
CID 58781609
methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate
CID 104691659
(2S)-2-ethoxy-1,1-dimethylcyclohexane
CID 101096766
cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate
CID 68728052
trans-ethyl (1S,2R)-2-acetyloxy-1-hydroxycyclohexane-1-carboxylate
CID 167134264

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate?
The IUPAC name of methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate (CID 141100977) is methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate is CCOC1CCCC1(C(=O)OC)C1CCCCC1.
What is the InChIKey of methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate?
The InChIKey is IFJNQSNIDSUEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-18-13-10-7-11-15(13,14(16)17-2)12-8-5-4-6-9-12/h12-13H,3-11H2,1-2H3.
What are the key properties of methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate?
methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate is sourced from PubChem (CID 141100977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).