ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate

C11H18O4 — CID 135037698

IUPACethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1C1OCCO1
InChIInChI=1S/C11H18O4/c1-2-13-10(12)8-4-3-5-9(8)11-14-6-7-15-11/h8-9,11H,2-7H2,1H3
InChIKeyBWDPYBPWTOZODB-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.34
Rot. Bonds3

About ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate

ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate (PubChem CID 135037698) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate
PubChem CID135037698
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1C1OCCO1
InChIInChI=1S/C11H18O4/c1-2-13-10(12)8-4-3-5-9(8)11-14-6-7-15-11/h8-9,11H,2-7H2,1H3
InChIKeyBWDPYBPWTOZODB-UHFFFAOYSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1R,2R,5R)-1-(1,3-dioxolan-2-ylmethyl)-2-methyl-5-propan-2-ylcyclopentane-1-carboxylate
CID 56595628
1,4-Dioxaspiro[4.4]nonane-6-acetic acid, methyl ester
CID 11171635
Ethyl 3-(diethoxymethyl)heptanoate
CID 12859643
(3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 15933477
CID 11034032
CID 11034032
Ethyl 7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 13089481
ethyl (7R,8S)-7-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylate
CID 13089482
Ethyl 3-(1,3-dioxolan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate
CID 14254581
2-(1-Methoxyethoxy)ethyl 1,2-dimethylcyclopentane-1-carboxylate
CID 20729064
2-(1-Methoxyethoxy)ethyl 3-cyclopentylpropanoate
CID 20729083
2-(1-Methoxyethoxy)ethyl 4-cyclopentylbutanoate
CID 20729089
3-(1,3-Dioxolan-2-yl)propyl cyclohexanecarboxylate
CID 71113258

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate (CID 135037698) is ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate is CCOC(=O)C1CCCC1C1OCCO1.
What is the InChIKey of ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate?
The InChIKey is BWDPYBPWTOZODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-13-10(12)8-4-3-5-9(8)11-14-6-7-15-11/h8-9,11H,2-7H2,1H3.
What are the key properties of ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate?
ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-dioxolan-2-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 135037698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).