(3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene

C22H22 — CID 144915065

IUPAC(3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene
SMILESC=CC(=C)C(c1ccccc1)C(C(=C)C=C)c1ccccc1
InChIInChI=1S/C22H22/c1-5-17(3)21(19-13-9-7-10-14-19)22(18(4)6-2)20-15-11-8-12-16-20/h5-16,21-22H,1-4H2
InChIKeyAYXVZBOKWBAAIY-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.04
Rot. Bonds7

About (3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene

(3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene (PubChem CID 144915065) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is (3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene.

Molecular Properties

Compound Name(3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene
PubChem CID144915065
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name(3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene
SMILESC=CC(=C)C(c1ccccc1)C(C(=C)C=C)c1ccccc1
InChIInChI=1S/C22H22/c1-5-17(3)21(19-13-9-7-10-14-19)22(18(4)6-2)20-15-11-8-12-16-20/h5-16,21-22H,1-4H2
InChIKeyAYXVZBOKWBAAIY-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.04
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

N-benzyl-2-methylidene-1-phenylbut-3-en-1-amine
CID 87483808
(2-methylidene-1-phenylbut-3-enyl) acetate
CID 10774469
benzene;1-phenylprop-2-en-1-ol
CID 174884403
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286
[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
CID 141305061
1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
CID 87154627
(4E)-4-ethenyl-3-phenylhepta-1,4,6-trien-2-ol
CID 142139727
3-phenylhexa-1,5-dien-2-ol
CID 173444348
1,1-diphenylbut-3-en-2-ol
CID 88826241
1,1,1-trichlorobut-3-en-2-ylbenzene
CID 71393559
2-ethenyl-1,3-diphenylpropane-1,3-diol
CID 11821143

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene?
The IUPAC name of (3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene (CID 144915065) is (3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene.
What is the SMILES notation for (3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene?
The canonical SMILES for (3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene is C=CC(=C)C(c1ccccc1)C(C(=C)C=C)c1ccccc1.
What is the InChIKey of (3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene?
The InChIKey is AYXVZBOKWBAAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-5-17(3)21(19-13-9-7-10-14-19)22(18(4)6-2)20-15-11-8-12-16-20/h5-16,21-22H,1-4H2.
What are the key properties of (3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene?
(3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene has a molecular weight of 286.42 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylidene-5-phenylocta-1,7-dien-4-yl)benzene is sourced from PubChem (CID 144915065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).