4-deca-1,9-dienyl-1,3-dioxolan-2-one

C13H20O3 — CID 146800638

IUPAC4-deca-1,9-dienyl-1,3-dioxolan-2-one
SMILESC=CCCCCCCC=CC1COC(=O)O1
InChIInChI=1S/C13H20O3/c1-2-3-4-5-6-7-8-9-10-12-11-15-13(14)16-12/h2,9-10,12H,1,3-8,11H2
InChIKeyRXVCIQYPXNFFNH-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.60
Rot. Bonds8

About 4-deca-1,9-dienyl-1,3-dioxolan-2-one

4-deca-1,9-dienyl-1,3-dioxolan-2-one (PubChem CID 146800638) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-deca-1,9-dienyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-deca-1,9-dienyl-1,3-dioxolan-2-one
PubChem CID146800638
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name4-deca-1,9-dienyl-1,3-dioxolan-2-one
SMILESC=CCCCCCCC=CC1COC(=O)O1
InChIInChI=1S/C13H20O3/c1-2-3-4-5-6-7-8-9-10-12-11-15-13(14)16-12/h2,9-10,12H,1,3-8,11H2
InChIKeyRXVCIQYPXNFFNH-UHFFFAOYSA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.60
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

(4R)-4-[(E)-hept-1-enyl]-1,3-dioxolan-2-one
CID 11389786
4-but-1-enyl-1,3-dioxolan-2-one
CID 54143816
1,3-dioxolan-2-one;4-ethenyl-1,3-dioxolan-2-one;hydrofluoride
CID 175258508
5-amino-4-[(E)-pentadec-1-enyl]-1,3-dioxan-2-one
CID 18996041
4-[(2E,10E,18E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,10,18,26-tetraenyl]-1,3-dioxolan-2-one
CID 161112705
4-[(2E,26E)-28-(2-methylidene-1,3-dioxolan-4-yl)octacosa-2,26-dienyl]-1,3-dioxolan-2-one
CID 157420162
(4S)-2,2-dimethyl-4-[(1Z)-octa-1,7-dienyl]-1,3-dioxolane
CID 10536443
pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599610
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
(2S)-4-[(1E)-dodeca-1,11-dienyl]-2-methyl-2H-furan-5-one
CID 10879902
icosa-1,9,19-triene
CID 57001912
heptahexaconta-1,23,66-triene
CID 57275880

Frequently Asked Questions

What is the IUPAC name of 4-deca-1,9-dienyl-1,3-dioxolan-2-one?
The IUPAC name of 4-deca-1,9-dienyl-1,3-dioxolan-2-one (CID 146800638) is 4-deca-1,9-dienyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-deca-1,9-dienyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-deca-1,9-dienyl-1,3-dioxolan-2-one is C=CCCCCCCC=CC1COC(=O)O1.
What is the InChIKey of 4-deca-1,9-dienyl-1,3-dioxolan-2-one?
The InChIKey is RXVCIQYPXNFFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-3-4-5-6-7-8-9-10-12-11-15-13(14)16-12/h2,9-10,12H,1,3-8,11H2.
What are the key properties of 4-deca-1,9-dienyl-1,3-dioxolan-2-one?
4-deca-1,9-dienyl-1,3-dioxolan-2-one has a molecular weight of 224.30 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deca-1,9-dienyl-1,3-dioxolan-2-one is sourced from PubChem (CID 146800638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).