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

C10H18O4 — CID 12948748

IUPACethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate
SMILESCCOC(=O)C(CC)C1(C)OCCO1
InChIInChI=1S/C10H18O4/c1-4-8(9(11)12-5-2)10(3)13-6-7-14-10/h8H,4-7H2,1-3H3
InChIKeyKPZPCJBZTURVBR-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds4

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

ethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate (PubChem CID 12948748) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate
PubChem CID12948748
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate
SMILESCCOC(=O)C(CC)C1(C)OCCO1
InChIInChI=1S/C10H18O4/c1-4-8(9(11)12-5-2)10(3)13-6-7-14-10/h8H,4-7H2,1-3H3
InChIKeyKPZPCJBZTURVBR-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate?
The IUPAC name of ethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate (CID 12948748) is ethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate.
What is the SMILES notation for ethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate?
The canonical SMILES for ethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate is CCOC(=O)C(CC)C1(C)OCCO1.
What is the InChIKey of ethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate?
The InChIKey is KPZPCJBZTURVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-8(9(11)12-5-2)10(3)13-6-7-14-10/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate?
ethyl 2-(2-methyl-1,3-dioxolan-2-yl)butanoate 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-(2-methyl-1,3-dioxolan-2-yl)butanoate is sourced from PubChem (CID 12948748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).