4,6-dimethylnona-1,8-dien-5-one;styrene

C19H26O — CID 66739341

IUPAC4,6-dimethylnona-1,8-dien-5-one;styrene
SMILESC=CCC(C)C(=O)C(C)CC=C.C=Cc1ccccc1
InChIInChI=1S/C11H18O.C8H8/c1-5-7-9(3)11(12)10(4)8-6-2;1-2-8-6-4-3-5-7-8/h5-6,9-10H,1-2,7-8H2,3-4H3;2-7H,1H2
InChIKeyIGKQCARVZJNMBB-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.31
Rot. Bonds7

About 4,6-dimethylnona-1,8-dien-5-one;styrene

4,6-dimethylnona-1,8-dien-5-one;styrene (PubChem CID 66739341) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 4,6-dimethylnona-1,8-dien-5-one;styrene.

Molecular Properties

Compound Name4,6-dimethylnona-1,8-dien-5-one;styrene
PubChem CID66739341
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name4,6-dimethylnona-1,8-dien-5-one;styrene
SMILESC=CCC(C)C(=O)C(C)CC=C.C=Cc1ccccc1
InChIInChI=1S/C11H18O.C8H8/c1-5-7-9(3)11(12)10(4)8-6-2;1-2-8-6-4-3-5-7-8/h5-6,9-10H,1-2,7-8H2,3-4H3;2-7H,1H2
InChIKeyIGKQCARVZJNMBB-UHFFFAOYSA-N
XLogP5.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,6-dimethylnona-1,8-dien-5-one;styrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-methylbutanoate;styrene
CID 91021086
chloroform;propan-2-one;styrene
CID 70453221
2-methylpropanal;styrene
CID 142676014
(2R)-2-methyl-N,N-diphenylpent-4-enamide
CID 24809395
prop-2-enoic acid;styrene
CID 160851252
benzene;ethane;styrene
CID 21219610
buta-1,3-diene;but-3-enoic acid;styrene
CID 174962905
bromobenzene;pent-4-en-2-ol
CID 145155051
(4S)-4-[(R)-hydroxy(phenyl)methyl]-2-methylhept-6-en-3-one
CID 101163130
2-hydroxyprop-2-enoic acid;styrene
CID 67611169
CID 173404758
CID 173404758
(Z)-but-2-enedioic acid;styrene
CID 67731875

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylnona-1,8-dien-5-one;styrene?
The IUPAC name of 4,6-dimethylnona-1,8-dien-5-one;styrene (CID 66739341) is 4,6-dimethylnona-1,8-dien-5-one;styrene.
What is the SMILES notation for 4,6-dimethylnona-1,8-dien-5-one;styrene?
The canonical SMILES for 4,6-dimethylnona-1,8-dien-5-one;styrene is C=CCC(C)C(=O)C(C)CC=C.C=Cc1ccccc1.
What is the InChIKey of 4,6-dimethylnona-1,8-dien-5-one;styrene?
The InChIKey is IGKQCARVZJNMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O.C8H8/c1-5-7-9(3)11(12)10(4)8-6-2;1-2-8-6-4-3-5-7-8/h5-6,9-10H,1-2,7-8H2,3-4H3;2-7H,1H2.
What are the key properties of 4,6-dimethylnona-1,8-dien-5-one;styrene?
4,6-dimethylnona-1,8-dien-5-one;styrene has a molecular weight of 270.42 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylnona-1,8-dien-5-one;styrene is sourced from PubChem (CID 66739341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).