2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate

C10H14O4 — CID 155300738

IUPAC2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate
SMILESC=CCOC(=O)C(=O)OC/C=C/CC
InChIInChI=1S/C10H14O4/c1-3-5-6-8-14-10(12)9(11)13-7-4-2/h4-6H,2-3,7-8H2,1H3/b6-5+
InChIKeyZPBMUOFMSFQTQA-AATRIKPKSA-N
MW198.22 g/mol
LogP1.23
Rot. Bonds5

About 2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate

2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate (PubChem CID 155300738) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate.

Molecular Properties

Compound Name2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate
PubChem CID155300738
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate
SMILESC=CCOC(=O)C(=O)OC/C=C/CC
InChIInChI=1S/C10H14O4/c1-3-5-6-8-14-10(12)9(11)13-7-4-2/h4-6H,2-3,7-8H2,1H3/b6-5+
InChIKeyZPBMUOFMSFQTQA-AATRIKPKSA-N
XLogP1.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-methylidenebutanoate
CID 12684713
prop-2-enyl docosa-4,7,10,13,16,19-hexaenoate
CID 91333879
prop-2-enyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 87748807
bis[(E)-pent-2-enyl] pentanedioate
CID 91706483
bis(nona-2,6-dienyl) butanedioate
CID 172814579
1-oxo-1-prop-2-enoxypent-2-ene-2-sulfonic acid
CID 175274282
2-oxo-2-prop-2-enoxyacetate
CID 18533281
[(2E,4E)-hepta-2,4-dienyl] (E)-2-methylbut-2-enoate
CID 91698107
ethoxyethane;prop-2-enyl 2-methylprop-2-enoate
CID 87074537
(E)-4-oxo-4-pent-2-enoxybut-2-enoic acid
CID 139646437
[(Z)-pent-2-enyl] pentanoate
CID 5367937
[(2E,4E)-hepta-2,4-dienyl] carbamate
CID 125475387

Frequently Asked Questions

What is the IUPAC name of 2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate?
The IUPAC name of 2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate (CID 155300738) is 2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate.
What is the SMILES notation for 2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate?
The canonical SMILES for 2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate is C=CCOC(=O)C(=O)OC/C=C/CC.
What is the InChIKey of 2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate?
The InChIKey is ZPBMUOFMSFQTQA-AATRIKPKSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-5-6-8-14-10(12)9(11)13-7-4-2/h4-6H,2-3,7-8H2,1H3/b6-5+.
What are the key properties of 2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate?
2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate has a molecular weight of 198.22 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate is sourced from PubChem (CID 155300738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).