pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate

C9H12O5 — CID 134599610

IUPACpent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESC=CCCCOC(=O)C1COC(=O)O1
InChIInChI=1S/C9H12O5/c1-2-3-4-5-12-8(10)7-6-13-9(11)14-7/h2,7H,1,3-6H2
InChIKeyZBRXXGARWRLRKF-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.03
Rot. Bonds5

About pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate

pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 134599610) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namepent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID134599610
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Namepent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESC=CCCCOC(=O)C1COC(=O)O1
InChIInChI=1S/C9H12O5/c1-2-3-4-5-12-8(10)7-6-13-9(11)14-7/h2,7H,1,3-6H2
InChIKeyZBRXXGARWRLRKF-UHFFFAOYSA-N
XLogP1.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-(2-oxo-1,3-dioxolane-4-carbonyl)oxyethyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 122643704
[4-(2-oxo-1,3-dioxolane-4-carbonyl)oxycyclohexyl] 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599720
iodo 2-oxo-1,3-dioxolane-4-carboxylate
CID 155049716
3-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxypropyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7503554
(4-chlorophenyl)methyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599628
ethyl methyl carbonate;4-fluoro-1,3-dioxolan-2-one;fluoroethene
CID 162241357
3-(2-oxo-1,3-dioxolane-4-carbonyl)oxybutan-2-yl 2-oxo-1,3-dioxolane-4-carboxylate
CID 134599718
2-hydroxyethyl 2-oxo-1,3-dioxolane-4-carboxylate;2-hydroxypropyl 2-oxo-1,3-dioxolane-4-carboxylate;2-methylbutyl 2-oxo-1,3-dioxolane-4-carboxylate
CID 163596201
4-deca-1,9-dienyl-1,3-dioxolan-2-one
CID 146800638
pent-4-enyl 4-methylbenzoate
CID 176964104
but-3-enyl (2R)-oxolane-2-carboxylate
CID 101466422
1-O-pent-4-enyl 2-O-prop-2-enyl benzene-1,2-dicarboxylate
CID 12031226

Frequently Asked Questions

What is the IUPAC name of pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate (CID 134599610) is pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate is C=CCCCOC(=O)C1COC(=O)O1.
What is the InChIKey of pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is ZBRXXGARWRLRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-2-3-4-5-12-8(10)7-6-13-9(11)14-7/h2,7H,1,3-6H2.
What are the key properties of pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate?
pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 200.19 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-enyl 2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 134599610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).