[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene

C16H20 — CID 142292724

IUPAC[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene
SMILESC=C/C(=C\C=C/C)C(C)(C)c1ccccc1
InChIInChI=1S/C16H20/c1-5-7-11-14(6-2)16(3,4)15-12-9-8-10-13-15/h5-13H,2H2,1,3-4H3/b7-5-,14-11+
InChIKeyFHBRKUZQCOGOQC-WIIVBELUSA-N
MW212.34 g/mol
LogP4.65
Rot. Bonds4

About [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene

[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene (PubChem CID 142292724) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene.

Molecular Properties

Compound Name[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene
PubChem CID142292724
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene
SMILESC=C/C(=C\C=C/C)C(C)(C)c1ccccc1
InChIInChI=1S/C16H20/c1-5-7-11-14(6-2)16(3,4)15-12-9-8-10-13-15/h5-13H,2H2,1,3-4H3/b7-5-,14-11+
InChIKeyFHBRKUZQCOGOQC-WIIVBELUSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.65
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

ethane;[(3E,5Z)-3-ethenyl-2-phenylhepta-3,5-dien-2-yl]benzene
CID 163276575
(3E,5Z)-3-ethenyl-2-methyl-2-phenylhepta-3,5-dienal
CID 88999679
ethane;[(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 142223865
N-[4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]-N-iodo-4-(2-phenylpropan-2-yl)aniline
CID 170058694
1-[(2Z,4E,7E,9E)-5-ethenyl-6-phenyl-7-[(Z)-3-phenylprop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]-4-methoxybenzene
CID 126516005
(3E,5Z)-3-ethenyl-2-(1-methylpyrrolidin-3-yl)-2-phenylhepta-3,5-dienamide
CID 143136785
ethane;[(4Z)-2-methyl-3-methylidenehepta-4,6-dien-2-yl]benzene
CID 144915066
N-[(1E,3E)-4-tert-butylhexa-1,3,5-trienyl]aniline
CID 118027593
(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene
CID 143762679
(3E,5E)-1-hydroxy-6-[hydroxy(diphenyl)methyl]octa-3,5,7-trien-2-one
CID 142826257
2-[(2E,4Z)-2-ethenyl-1-(2-methylphenyl)-1-phenylhexa-2,4-dienyl]-1,6-dimethylpyrene
CID 144842172
[(Z)-2-methylpent-3-en-2-yl]benzene
CID 154027835

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene?
The IUPAC name of [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene (CID 142292724) is [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene.
What is the SMILES notation for [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene?
The canonical SMILES for [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene is C=C/C(=C\C=C/C)C(C)(C)c1ccccc1.
What is the InChIKey of [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene?
The InChIKey is FHBRKUZQCOGOQC-WIIVBELUSA-N. The full InChI is InChI=1S/C16H20/c1-5-7-11-14(6-2)16(3,4)15-12-9-8-10-13-15/h5-13H,2H2,1,3-4H3/b7-5-,14-11+.
What are the key properties of [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene?
[(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene has a molecular weight of 212.34 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-2-yl]benzene is sourced from PubChem (CID 142292724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).