4,8-di(propan-2-yl)undeca-4,7-dien-6-one

C17H30O — CID 139998521

IUPAC4,8-di(propan-2-yl)undeca-4,7-dien-6-one
SMILESCCCC(=CC(=O)C=C(CCC)C(C)C)C(C)C
InChIInChI=1S/C17H30O/c1-7-9-15(13(3)4)11-17(18)12-16(10-8-2)14(5)6/h11-14H,7-10H2,1-6H3
InChIKeyUNNWEZHPJSQMHL-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.32
Rot. Bonds8

About 4,8-di(propan-2-yl)undeca-4,7-dien-6-one

4,8-di(propan-2-yl)undeca-4,7-dien-6-one (PubChem CID 139998521) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 4,8-di(propan-2-yl)undeca-4,7-dien-6-one.

Molecular Properties

Compound Name4,8-di(propan-2-yl)undeca-4,7-dien-6-one
PubChem CID139998521
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name4,8-di(propan-2-yl)undeca-4,7-dien-6-one
SMILESCCCC(=CC(=O)C=C(CCC)C(C)C)C(C)C
InChIInChI=1S/C17H30O/c1-7-9-15(13(3)4)11-17(18)12-16(10-8-2)14(5)6/h11-14H,7-10H2,1-6H3
InChIKeyUNNWEZHPJSQMHL-UHFFFAOYSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-propan-2-ylhex-2-ene
CID 142020071
(3Z)-4-propan-2-ylhepta-1,3-dien-2-amine
CID 129269311
(3Z,5E)-4-fluoro-2,3-dimethyl-6-propan-2-ylnona-3,5-diene
CID 167100921
4,8-ditert-butylundeca-4,7-dien-6-one
CID 139998297
butanoic acid;2-methylpropanoic acid
CID 87150327
(5Z)-6-propan-2-ylocta-5,7-dien-4-one
CID 177048553
2-ethylidenepentane-1,1-diol
CID 174458356
3-methyloctane-4,5-dione
CID 18177714
butanoic acid;2-methylpropanoyl chloride
CID 158101485
pentan-2-one;zinc
CID 88629307
palladium;pentan-2-one
CID 174766041
3-hydroxy-2-methylnon-3-en-5-one
CID 140897674

Frequently Asked Questions

What is the IUPAC name of 4,8-di(propan-2-yl)undeca-4,7-dien-6-one?
The IUPAC name of 4,8-di(propan-2-yl)undeca-4,7-dien-6-one (CID 139998521) is 4,8-di(propan-2-yl)undeca-4,7-dien-6-one.
What is the SMILES notation for 4,8-di(propan-2-yl)undeca-4,7-dien-6-one?
The canonical SMILES for 4,8-di(propan-2-yl)undeca-4,7-dien-6-one is CCCC(=CC(=O)C=C(CCC)C(C)C)C(C)C.
What is the InChIKey of 4,8-di(propan-2-yl)undeca-4,7-dien-6-one?
The InChIKey is UNNWEZHPJSQMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-7-9-15(13(3)4)11-17(18)12-16(10-8-2)14(5)6/h11-14H,7-10H2,1-6H3.
What are the key properties of 4,8-di(propan-2-yl)undeca-4,7-dien-6-one?
4,8-di(propan-2-yl)undeca-4,7-dien-6-one has a molecular weight of 250.43 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-di(propan-2-yl)undeca-4,7-dien-6-one is sourced from PubChem (CID 139998521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).