(5-benzylidene-6-methylhept-3-en-3-yl)benzene

C21H24 — CID 173457168

IUPAC(5-benzylidene-6-methylhept-3-en-3-yl)benzene
SMILESCCC(=CC(=Cc1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C21H24/c1-4-19(20-13-9-6-10-14-20)16-21(17(2)3)15-18-11-7-5-8-12-18/h5-17H,4H2,1-3H3
InChIKeyFKTQHSGRXGSSPK-UHFFFAOYSA-N
MW276.42 g/mol
LogP6.22
Rot. Bonds5

About (5-benzylidene-6-methylhept-3-en-3-yl)benzene

(5-benzylidene-6-methylhept-3-en-3-yl)benzene (PubChem CID 173457168) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is (5-benzylidene-6-methylhept-3-en-3-yl)benzene.

Molecular Properties

Compound Name(5-benzylidene-6-methylhept-3-en-3-yl)benzene
PubChem CID173457168
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name(5-benzylidene-6-methylhept-3-en-3-yl)benzene
SMILESCCC(=CC(=Cc1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C21H24/c1-4-19(20-13-9-6-10-14-20)16-21(17(2)3)15-18-11-7-5-8-12-18/h5-17H,4H2,1-3H3
InChIKeyFKTQHSGRXGSSPK-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 56.22
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

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CID 123274191
1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
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1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene
CID 138980853
3-(1-phenylbut-1-en-2-yl)phenol
CID 91153074
[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
CID 134933163
[(3E)-5-fluorohepta-3,5-dien-3-yl]benzene
CID 155725923
(E)-2,3-diphenyl-N-propan-2-ylprop-2-en-1-amine
CID 11402493
(Z)-3-phenylpent-2-en-1-amine
CID 63968007
2-[(Z)-2-phenylbut-1-enyl]phenol
CID 11031503
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Frequently Asked Questions

What is the IUPAC name of (5-benzylidene-6-methylhept-3-en-3-yl)benzene?
The IUPAC name of (5-benzylidene-6-methylhept-3-en-3-yl)benzene (CID 173457168) is (5-benzylidene-6-methylhept-3-en-3-yl)benzene.
What is the SMILES notation for (5-benzylidene-6-methylhept-3-en-3-yl)benzene?
The canonical SMILES for (5-benzylidene-6-methylhept-3-en-3-yl)benzene is CCC(=CC(=Cc1ccccc1)C(C)C)c1ccccc1.
What is the InChIKey of (5-benzylidene-6-methylhept-3-en-3-yl)benzene?
The InChIKey is FKTQHSGRXGSSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24/c1-4-19(20-13-9-6-10-14-20)16-21(17(2)3)15-18-11-7-5-8-12-18/h5-17H,4H2,1-3H3.
What are the key properties of (5-benzylidene-6-methylhept-3-en-3-yl)benzene?
(5-benzylidene-6-methylhept-3-en-3-yl)benzene has a molecular weight of 276.42 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzylidene-6-methylhept-3-en-3-yl)benzene is sourced from PubChem (CID 173457168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).