ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate

C13H22O5 — CID 135038986

IUPACethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate
SMILESCCOC(=O)C(CC1(C)OCCO1)C1CCOC1
InChIInChI=1S/C13H22O5/c1-3-16-12(14)11(10-4-5-15-9-10)8-13(2)17-6-7-18-13/h10-11H,3-9H2,1-2H3
InChIKeyWQVXLKASXWCLQM-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.36
Rot. Bonds5

About ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate

ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate (PubChem CID 135038986) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate
PubChem CID135038986
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Nameethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate
SMILESCCOC(=O)C(CC1(C)OCCO1)C1CCOC1
InChIInChI=1S/C13H22O5/c1-3-16-12(14)11(10-4-5-15-9-10)8-13(2)17-6-7-18-13/h10-11H,3-9H2,1-2H3
InChIKeyWQVXLKASXWCLQM-UHFFFAOYSA-N
XLogP1.36
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1,4-dioxaspiro[4.4]nonane-7-carboxylate
CID 239217
(2R,3S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-oxaspiro[2.4]heptan-4-one
CID 11769794
ethyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentanoate
CID 59051769
4-Amyloxymethyl-2-(2,3-epoxypropyl)butanolide
CID 129742099
4-Propoxymethyl-2-(2,3-epoxypropyl)butanolide
CID 129742171
1,4-Dioxaspiro[4.4]nonane-7,8-dicarboxylic acid, diethyl ester
CID 588504
ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentanoate
CID 10634051
1,4-Dioxaspiro[4.4]nonane-7-acetic acid, ethyl ester, (S)-
CID 11042109
(3R,4R,5R)-5-[(1S)-1-(methoxymethoxy)ethyl]-3,4-dimethyloxolan-2-one
CID 102593602
Ethyl 1,4-dioxaspiro[4.4]nonane-7-carboxylate
CID 245433
Ethyl 2-ethyl-4-(2-methyl-1,3-dioxolan-2-yl)butanoate
CID 10036828
Dimethyl 1,4-Dioxaspiro[4.4]nonane-7,8-dicarboxylate
CID 12774285

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate?
The IUPAC name of ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate (CID 135038986) is ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate?
The canonical SMILES for ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate is CCOC(=O)C(CC1(C)OCCO1)C1CCOC1.
What is the InChIKey of ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate?
The InChIKey is WQVXLKASXWCLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-3-16-12(14)11(10-4-5-15-9-10)8-13(2)17-6-7-18-13/h10-11H,3-9H2,1-2H3.
What are the key properties of ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate?
ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate has a molecular weight of 258.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methyl-1,3-dioxolan-2-yl)-2-(oxolan-3-yl)propanoate is sourced from PubChem (CID 135038986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).