4-decyl-4-ethenyl-1,3-dioxolan-2-one

C15H26O3 — CID 154719701

IUPAC4-decyl-4-ethenyl-1,3-dioxolan-2-one
SMILESC=CC1(CCCCCCCCCC)COC(=O)O1
InChIInChI=1S/C15H26O3/c1-3-5-6-7-8-9-10-11-12-15(4-2)13-17-14(16)18-15/h4H,2-3,5-13H2,1H3
InChIKeyXNBQDSAOBBVEFY-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.61
Rot. Bonds10

About 4-decyl-4-ethenyl-1,3-dioxolan-2-one

4-decyl-4-ethenyl-1,3-dioxolan-2-one (PubChem CID 154719701) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-decyl-4-ethenyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-decyl-4-ethenyl-1,3-dioxolan-2-one
PubChem CID154719701
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name4-decyl-4-ethenyl-1,3-dioxolan-2-one
SMILESC=CC1(CCCCCCCCCC)COC(=O)O1
InChIInChI=1S/C15H26O3/c1-3-5-6-7-8-9-10-11-12-15(4-2)13-17-14(16)18-15/h4H,2-3,5-13H2,1H3
InChIKeyXNBQDSAOBBVEFY-UHFFFAOYSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Hexyl-4-methyl-5-methylidene-1,3-dioxolan-2-one
CID 101854327
(4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one
CID 10103862
(4S)-4-ethenyl-4-undecyl-1,3-dioxolane
CID 135042850
4-Cyclohexyl-4-ethenyl-1,3-dioxolan-2-one
CID 154719523
(4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane
CID 11394482
(4R,5S)-4-cyclohexyl-5-ethenyl-1,3-dioxolan-2-one
CID 11622498
(4S,5R)-4-ethenyl-5-nonyl-1,3-dioxolan-2-one
CID 101776255
4-Ethenyl-5-pentyl-1,3-dioxolan-2-one
CID 15196293
4-Methyl-5-methylidene-4-octyl-1,3-dioxolan-2-one
CID 19845453
4-Ethenyl-4-propyl-1,3-dioxolan-2-one
CID 22348562
4-Ethenyl-5-hexyl-1,3-dioxolan-2-one
CID 68454166
4-Cyclohexyl-5-ethenyl-1,3-dioxolan-2-one
CID 72784828

Frequently Asked Questions

What is the IUPAC name of 4-decyl-4-ethenyl-1,3-dioxolan-2-one?
The IUPAC name of 4-decyl-4-ethenyl-1,3-dioxolan-2-one (CID 154719701) is 4-decyl-4-ethenyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-decyl-4-ethenyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-decyl-4-ethenyl-1,3-dioxolan-2-one is C=CC1(CCCCCCCCCC)COC(=O)O1.
What is the InChIKey of 4-decyl-4-ethenyl-1,3-dioxolan-2-one?
The InChIKey is XNBQDSAOBBVEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-5-6-7-8-9-10-11-12-15(4-2)13-17-14(16)18-15/h4H,2-3,5-13H2,1H3.
What are the key properties of 4-decyl-4-ethenyl-1,3-dioxolan-2-one?
4-decyl-4-ethenyl-1,3-dioxolan-2-one has a molecular weight of 254.37 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-4-ethenyl-1,3-dioxolan-2-one is sourced from PubChem (CID 154719701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).