ethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate

C10H16O4 — CID 156705209

IUPACethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate
SMILESCCOC(=O)CCCC1(C)OC=CO1
InChIInChI=1S/C10H16O4/c1-3-12-9(11)5-4-6-10(2)13-7-8-14-10/h7-8H,3-6H2,1-2H3
InChIKeyFFYSLJIWPFBREZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.95
Rot. Bonds5

About ethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate

ethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate (PubChem CID 156705209) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate
PubChem CID156705209
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate
SMILESCCOC(=O)CCCC1(C)OC=CO1
InChIInChI=1S/C10H16O4/c1-3-12-9(11)5-4-6-10(2)13-7-8-14-10/h7-8H,3-6H2,1-2H3
InChIKeyFFYSLJIWPFBREZ-UHFFFAOYSA-N
XLogP1.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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sodium;diethyl decanedioate;hydride
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ethyl hexanoate;zirconium(2+)
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ethyl hexanoate;mercury
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ethyl hexanoate;tungsten
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ethyl tetradecanoate
CID 89052756
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CID 155066194

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate?
The IUPAC name of ethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate (CID 156705209) is ethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate.
What is the SMILES notation for ethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate?
The canonical SMILES for ethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate is CCOC(=O)CCCC1(C)OC=CO1.
What is the InChIKey of ethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate?
The InChIKey is FFYSLJIWPFBREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-12-9(11)5-4-6-10(2)13-7-8-14-10/h7-8H,3-6H2,1-2H3.
What are the key properties of ethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate?
ethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate has a molecular weight of 200.23 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methyl-1,3-dioxol-2-yl)butanoate is sourced from PubChem (CID 156705209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).