1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene

C15H20 — CID 144862255

IUPAC1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene
SMILESC=C(/C=C\C)c1ccccc1CCCC
InChIInChI=1S/C15H20/c1-4-6-10-14-11-7-8-12-15(14)13(3)9-5-2/h5,7-9,11-12H,3-4,6,10H2,1-2H3/b9-5-
InChIKeyPISBFTAJNIWKTN-UITAMQMPSA-N
MW200.32 g/mol
LogP4.62
Rot. Bonds5

About 1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene

1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene (PubChem CID 144862255) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene.

Molecular Properties

Compound Name1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene
PubChem CID144862255
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene
SMILESC=C(/C=C\C)c1ccccc1CCCC
InChIInChI=1S/C15H20/c1-4-6-10-14-11-7-8-12-15(14)13(3)9-5-2/h5,7-9,11-12H,3-4,6,10H2,1-2H3/b9-5-
InChIKeyPISBFTAJNIWKTN-UITAMQMPSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-(1-fluoroethenyl)benzene
CID 143939431
1-(iodomethyl)-2-[(3Z)-penta-1,3-dien-2-yl]benzene
CID 88966000
1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene
CID 145354359
bis(2-butylbenzoyl) benzene-1,2-dicarboxylate
CID 87505801
(Z)-1-(2-butylphenyl)-N-methylprop-1-en-1-amine
CID 167258791
2-butylbenzamide
CID 15468173
azane;2-butylbenzoic acid
CID 174819524
bis(2-butylbenzoate);cadmium(2+)
CID 101299924
1-butyl-2-(2-methylidenebut-3-enyl)benzene
CID 140596675
(E)-1-(2-butylphenyl)-N-methoxyethanimine
CID 164678029
CID 159940559
CID 159940559
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene?
The IUPAC name of 1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene (CID 144862255) is 1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene.
What is the SMILES notation for 1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene?
The canonical SMILES for 1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene is C=C(/C=C\C)c1ccccc1CCCC.
What is the InChIKey of 1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene?
The InChIKey is PISBFTAJNIWKTN-UITAMQMPSA-N. The full InChI is InChI=1S/C15H20/c1-4-6-10-14-11-7-8-12-15(14)13(3)9-5-2/h5,7-9,11-12H,3-4,6,10H2,1-2H3/b9-5-.
What are the key properties of 1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene?
1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene has a molecular weight of 200.32 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(3Z)-penta-1,3-dien-2-yl]benzene is sourced from PubChem (CID 144862255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).