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

C10H18O4 — CID 14427563

IUPACethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate
SMILESCCOC(=O)C(C)CC1(C)OCCO1
InChIInChI=1S/C10H18O4/c1-4-12-9(11)8(2)7-10(3)13-5-6-14-10/h8H,4-7H2,1-3H3
InChIKeyZUHZUEAGCIUAOS-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds4

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

ethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate (PubChem CID 14427563) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate
PubChem CID14427563
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate
SMILESCCOC(=O)C(C)CC1(C)OCCO1
InChIInChI=1S/C10H18O4/c1-4-12-9(11)8(2)7-10(3)13-5-6-14-10/h8H,4-7H2,1-3H3
InChIKeyZUHZUEAGCIUAOS-UHFFFAOYSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl levulinate propyleneglycol ketal
CID 221634
Ethyl 2-methyl-1,3-dioxolane-2-propionate
CID 70332
1,4-Dioxaspiro[2.4]heptan-5-one, 6-methyl-
CID 535522
1,3-Dioxolane-2-propanoic acid, 2-methyl-, methyl ester
CID 560031
Ethyl 3-(4-(methoxymethyl)-2-methyl-1,3-dioxolan-2-yl)propanoate
CID 245458
ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 14691681
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate
CID 143289380
ethyl (2R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methylpropanoate
CID 144602734
methyl (2S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-methylpropanoate
CID 144754187
Ethyl 3-(2,4,5-trimethyl-1,3-dioxolan-2-yl)propanoate
CID 221651
Ethyl 2-ethyl-1,3-dioxolane-2-propanoate
CID 14334689
ethyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentanoate
CID 59051769

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The IUPAC name of ethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate (CID 14427563) is ethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate is CCOC(=O)C(C)CC1(C)OCCO1.
What is the InChIKey of ethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
The InChIKey is ZUHZUEAGCIUAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-12-9(11)8(2)7-10(3)13-5-6-14-10/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate?
ethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate has a molecular weight of 202.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate is sourced from PubChem (CID 14427563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).