4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one

C19H30O2 — CID 134919549

IUPAC4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one
SMILESCCCC1=C(CCC)C2C(CCC)=C(CCC)C2OC1=O
InChIInChI=1S/C19H30O2/c1-5-9-13-15(11-7-3)18-17(13)14(10-6-2)16(12-8-4)19(20)21-18/h17-18H,5-12H2,1-4H3
InChIKeyKILCZSXIGAEPRV-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.34
Rot. Bonds8

About 4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one

4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one (PubChem CID 134919549) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one.

Molecular Properties

Compound Name4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one
PubChem CID134919549
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one
SMILESCCCC1=C(CCC)C2C(CCC)=C(CCC)C2OC1=O
InChIInChI=1S/C19H30O2/c1-5-9-13-15(11-7-3)18-17(13)14(10-6-2)16(12-8-4)19(20)21-18/h17-18H,5-12H2,1-4H3
InChIKeyKILCZSXIGAEPRV-UHFFFAOYSA-N
XLogP5.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one with MolForge

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Related Compounds

(6E,10R,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydrocyclotetradeca[b]furan-2,11-dione
CID 15523780
(6E,10S,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydrocyclotetradeca[b]furan-2,11-dione
CID 643721
(2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one
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Capensifuranone
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Wortmannine F
CID 146682469
(10R,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydrocyclotetradeca[b]furan-2,11-dione
CID 162917263
4,5,7,8-Tetraethyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one
CID 134919468
4,5,7,8-Tetramethyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one
CID 134919638
Dioctyl 3-methylcyclohex-1-ene-1,2-dicarboxylate
CID 71443857
Cyclododecyl 2,3,3-tri(cyclododecyl)prop-2-enoate
CID 21848462
5-Tert-butyl-3-methyl-2-pentyl-2,3-dihydropyran-6-one
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Frequently Asked Questions

What is the IUPAC name of 4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one?
The IUPAC name of 4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one (CID 134919549) is 4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one.
What is the SMILES notation for 4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one?
The canonical SMILES for 4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one is CCCC1=C(CCC)C2C(CCC)=C(CCC)C2OC1=O.
What is the InChIKey of 4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one?
The InChIKey is KILCZSXIGAEPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-5-9-13-15(11-7-3)18-17(13)14(10-6-2)16(12-8-4)19(20)21-18/h17-18H,5-12H2,1-4H3.
What are the key properties of 4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one?
4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one has a molecular weight of 290.45 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7,8-tetrapropyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one is sourced from PubChem (CID 134919549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).