[(Z)-3-butan-2-ylnon-1-enyl]benzene

C19H30 — CID 143094188

IUPAC[(Z)-3-butan-2-ylnon-1-enyl]benzene
SMILESCCCCCCC(/C=C\c1ccccc1)C(C)CC
InChIInChI=1S/C19H30/c1-4-6-7-11-14-19(17(3)5-2)16-15-18-12-9-8-10-13-18/h8-10,12-13,15-17,19H,4-7,11,14H2,1-3H3/b16-15-
InChIKeyPUWINAQTFBNFBI-NXVVXOECSA-N
MW258.45 g/mol
LogP6.33
Rot. Bonds9

About [(Z)-3-butan-2-ylnon-1-enyl]benzene

[(Z)-3-butan-2-ylnon-1-enyl]benzene (PubChem CID 143094188) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is [(Z)-3-butan-2-ylnon-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-3-butan-2-ylnon-1-enyl]benzene
PubChem CID143094188
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name[(Z)-3-butan-2-ylnon-1-enyl]benzene
SMILESCCCCCCC(/C=C\c1ccccc1)C(C)CC
InChIInChI=1S/C19H30/c1-4-6-7-11-14-19(17(3)5-2)16-15-18-12-9-8-10-13-18/h8-10,12-13,15-17,19H,4-7,11,14H2,1-3H3/b16-15-
InChIKeyPUWINAQTFBNFBI-NXVVXOECSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(Z)-3-butan-2-ylnon-1-enyl]benzene 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

[(E)-3-methylhept-1-enyl]benzene
CID 12949923
2-[(E)-1-hydroxy-3-phenylprop-2-enyl]octanoic acid
CID 146374482
[(Z,3R)-1-phenyloct-1-en-3-yl] formate
CID 124646763
1-phenylheptadec-1-en-6-amine;hydrochloride
CID 173236417
1-methyl-4-[(Z,3S)-3-propan-2-ylhept-1-enyl]benzene
CID 134953023
6-chlorododec-1-enylbenzene
CID 150262306
6-bromododec-1-enylbenzene
CID 158445223
[(E)-octadec-1-enyl]benzene
CID 22722345
(E,3R,4S)-4-[(dimethylamino)methyl]-1-phenylnon-1-en-3-ol
CID 92970899
benzene;3,4,5-trimethylundecane
CID 174304647
5-(tripropoxymethyl)tridec-1-enylbenzene
CID 152662617
3-methoxypent-1-enylbenzene
CID 71364960

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-butan-2-ylnon-1-enyl]benzene?
The IUPAC name of [(Z)-3-butan-2-ylnon-1-enyl]benzene (CID 143094188) is [(Z)-3-butan-2-ylnon-1-enyl]benzene.
What is the SMILES notation for [(Z)-3-butan-2-ylnon-1-enyl]benzene?
The canonical SMILES for [(Z)-3-butan-2-ylnon-1-enyl]benzene is CCCCCCC(/C=C\c1ccccc1)C(C)CC.
What is the InChIKey of [(Z)-3-butan-2-ylnon-1-enyl]benzene?
The InChIKey is PUWINAQTFBNFBI-NXVVXOECSA-N. The full InChI is InChI=1S/C19H30/c1-4-6-7-11-14-19(17(3)5-2)16-15-18-12-9-8-10-13-18/h8-10,12-13,15-17,19H,4-7,11,14H2,1-3H3/b16-15-.
What are the key properties of [(Z)-3-butan-2-ylnon-1-enyl]benzene?
[(Z)-3-butan-2-ylnon-1-enyl]benzene has a molecular weight of 258.45 g/mol, XLogP of 6.33, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-butan-2-ylnon-1-enyl]benzene is sourced from PubChem (CID 143094188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).