ethyl 4-(1,3-dioxolan-2-yl)butanoate

C9H16O4 — CID 13027283

IUPACethyl 4-(1,3-dioxolan-2-yl)butanoate
SMILESCCOC(=O)CCCC1OCCO1
InChIInChI=1S/C9H16O4/c1-2-11-8(10)4-3-5-9-12-6-7-13-9/h9H,2-7H2,1H3
InChIKeyPSAZZBRAHGUHNN-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.09
Rot. Bonds5

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

ethyl 4-(1,3-dioxolan-2-yl)butanoate (PubChem CID 13027283) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is ethyl 4-(1,3-dioxolan-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(1,3-dioxolan-2-yl)butanoate
PubChem CID13027283
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Nameethyl 4-(1,3-dioxolan-2-yl)butanoate
SMILESCCOC(=O)CCCC1OCCO1
InChIInChI=1S/C9H16O4/c1-2-11-8(10)4-3-5-9-12-6-7-13-9/h9H,2-7H2,1H3
InChIKeyPSAZZBRAHGUHNN-UHFFFAOYSA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(1,3-dioxolan-2-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,3-dioxolan-2-yl)butanoate?
The IUPAC name of ethyl 4-(1,3-dioxolan-2-yl)butanoate (CID 13027283) is ethyl 4-(1,3-dioxolan-2-yl)butanoate.
What is the SMILES notation for ethyl 4-(1,3-dioxolan-2-yl)butanoate?
The canonical SMILES for ethyl 4-(1,3-dioxolan-2-yl)butanoate is CCOC(=O)CCCC1OCCO1.
What is the InChIKey of ethyl 4-(1,3-dioxolan-2-yl)butanoate?
The InChIKey is PSAZZBRAHGUHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-2-11-8(10)4-3-5-9-12-6-7-13-9/h9H,2-7H2,1H3.
What are the key properties of ethyl 4-(1,3-dioxolan-2-yl)butanoate?
ethyl 4-(1,3-dioxolan-2-yl)butanoate has a molecular weight of 188.22 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,3-dioxolan-2-yl)butanoate is sourced from PubChem (CID 13027283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).