2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate

C16H30O3 — CID 141100873

IUPAC2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate
SMILESCCOC1CCCC1(CC(C)C)C(=O)OCC(C)C
InChIInChI=1S/C16H30O3/c1-6-18-14-8-7-9-16(14,10-12(2)3)15(17)19-11-13(4)5/h12-14H,6-11H2,1-5H3
InChIKeyTZOVQQCUQLIXDP-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.81
Rot. Bonds7

About 2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate

2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate (PubChem CID 141100873) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate
PubChem CID141100873
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate
SMILESCCOC1CCCC1(CC(C)C)C(=O)OCC(C)C
InChIInChI=1S/C16H30O3/c1-6-18-14-8-7-9-16(14,10-12(2)3)15(17)19-11-13(4)5/h12-14H,6-11H2,1-5H3
InChIKeyTZOVQQCUQLIXDP-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate
CID 141100879
[2-ethoxycarbonyl-2-(2-methylpropyl)cyclopentyl] benzoate
CID 69201228
2-methylpropyl 2-phenylmethoxy-1-propylcyclopentane-1-carboxylate
CID 141100848
ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate
CID 141101066
1-butyl-2-ethoxycycloundecane-1-carboxylic acid
CID 58781609
ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate
CID 141101003
methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate
CID 141100977
2-methylpropyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 21144157
[2-(2-methylpropoxycarbonyl)-2-pentylcyclopentyl] 3-methylbenzoate
CID 69200542
diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate
CID 15550872
1-(2-methylpropyl)cyclohexane-1,2-dicarboxamide
CID 70234749
2-ethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclopentane
CID 86091292

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate?
The IUPAC name of 2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate (CID 141100873) is 2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate?
The canonical SMILES for 2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate is CCOC1CCCC1(CC(C)C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate?
The InChIKey is TZOVQQCUQLIXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-6-18-14-8-7-9-16(14,10-12(2)3)15(17)19-11-13(4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate?
2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate has a molecular weight of 270.41 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 141100873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).