4-butyl-1,3-dioxolan-2-one

C14H24O6 — CID 162009451

IUPAC4-butyl-1,3-dioxolan-2-one
SMILESCCCCC1COC(=O)O1.CCCCC1COC(=O)O1
InChIInChI=1S/2C7H12O3/c2*1-2-3-4-6-5-9-7(8)10-6/h2*6H,2-5H2,1H3
InChIKeyYTGUELNJMHLIHQ-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.42
Rot. Bonds6

About 4-butyl-1,3-dioxolan-2-one

4-butyl-1,3-dioxolan-2-one (PubChem CID 162009451) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-butyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-butyl-1,3-dioxolan-2-one
PubChem CID162009451
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name4-butyl-1,3-dioxolan-2-one
SMILESCCCCC1COC(=O)O1.CCCCC1COC(=O)O1
InChIInChI=1S/2C7H12O3/c2*1-2-3-4-6-5-9-7(8)10-6/h2*6H,2-5H2,1H3
InChIKeyYTGUELNJMHLIHQ-UHFFFAOYSA-N
XLogP3.42
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-butyl-1,3-dioxolan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(4S)-4-octyl-1,3-dioxolan-2-one
CID 129382353
4-octadecyl-1,3-dioxolan-2-one
CID 139653097
(4R)-4-hexyl-1,3-dioxolan-2-one
CID 15403459
4-(3-methylbutyl)-1,3-dioxolan-2-one
CID 138595323
4-hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl-1,3-dioxolan-2-one;4-hexacosyl-1,3-dioxolan-2-one
CID 162277518
4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one
CID 123515532
4-[3-(1-hydroxyethoxy)propyl]-1,3-dioxolan-2-one
CID 70218868
[(4S)-2-oxo-1,3-dioxolan-4-yl]methyl dodecanoate
CID 10334978
4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one
CID 144590416
hexyl (2-oxo-1,3-dioxolan-4-yl)methanesulfonate
CID 87125752
(2-oxo-1,3-dioxolan-4-yl)methyl butane-1-sulfonate;(2-oxo-1,3-dioxolan-4-yl)methyl propane-1-sulfonate
CID 162005537
(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,3-dioxolan-2-one?
The IUPAC name of 4-butyl-1,3-dioxolan-2-one (CID 162009451) is 4-butyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-butyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-butyl-1,3-dioxolan-2-one is CCCCC1COC(=O)O1.CCCCC1COC(=O)O1.
What is the InChIKey of 4-butyl-1,3-dioxolan-2-one?
The InChIKey is YTGUELNJMHLIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12O3/c2*1-2-3-4-6-5-9-7(8)10-6/h2*6H,2-5H2,1H3.
What are the key properties of 4-butyl-1,3-dioxolan-2-one?
4-butyl-1,3-dioxolan-2-one has a molecular weight of 288.34 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,3-dioxolan-2-one is sourced from PubChem (CID 162009451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).