3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione

C11H16O3 — CID 22979801

IUPAC3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione
SMILESCC/C=C/C(CC)C1CC(=O)OC1=O
InChIInChI=1S/C11H16O3/c1-3-5-6-8(4-2)9-7-10(12)14-11(9)13/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+
InChIKeyFUCWAHQUIULGII-AATRIKPKSA-N
MW196.25 g/mol
LogP2.07
Rot. Bonds4

About 3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione

3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione (PubChem CID 22979801) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione
PubChem CID22979801
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione
SMILESCC/C=C/C(CC)C1CC(=O)OC1=O
InChIInChI=1S/C11H16O3/c1-3-5-6-8(4-2)9-7-10(12)14-11(9)13/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+
InChIKeyFUCWAHQUIULGII-AATRIKPKSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tetrahydrophthalic anhydride
CID 6810
(2-Dodecenyl)succinic anhydride
CID 5362708
Tetrahydrophthalic anhydride, cis-
CID 98495
4-Hydroxy-4-methyl decenoic acid gamma lactone, (7Z)-
CID 11332852
2-Octenylsuccinic anhydride, (2E)-
CID 5362689
Methyltetrahydrophthalic anhydride
CID 198243
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-methyl-
CID 95332
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-
CID 98496
2,5-Furandione, dihydro-3-(tetrapropenyl)-
CID 6438029
2(3H)-Furanone, 5-(3-hexenyl)dihydro-5-methyl-, (E)-
CID 6436439
2-Octenylsuccinic anhydride
CID 534543
2-Dodecen-1-ylsuccinic anhydride
CID 29772

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione?
The IUPAC name of 3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione (CID 22979801) is 3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione.
What is the SMILES notation for 3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione?
The canonical SMILES for 3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione is CC/C=C/C(CC)C1CC(=O)OC1=O.
What is the InChIKey of 3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione?
The InChIKey is FUCWAHQUIULGII-AATRIKPKSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-5-6-8(4-2)9-7-10(12)14-11(9)13/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+.
What are the key properties of 3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione?
3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione is sourced from PubChem (CID 22979801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).