benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene

C23H30 — CID 144954093

IUPACbenzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene
SMILESCC(=C/CC(C)C)/C=C(\C)c1cccc(C)c1.c1ccccc1
InChIInChI=1S/C17H24.C6H6/c1-13(2)9-10-15(4)11-16(5)17-8-6-7-14(3)12-17;1-2-4-6-5-3-1/h6-8,10-13H,9H2,1-5H3;1-6H/b15-10-,16-11+;
InChIKeyWAJLJRIIRCARLS-DRGUHZJFSA-N
MW306.49 g/mol
LogP7.08
Rot. Bonds4

About benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene

benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene (PubChem CID 144954093) has the molecular formula C23H30 and a molecular weight of 306.49 g/mol. Its IUPAC name is benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene.

Molecular Properties

Compound Namebenzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene
PubChem CID144954093
Molecular FormulaC23H30
Molecular Weight306.49 g/mol
Exact Mass306.23
IUPAC Namebenzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene
SMILESCC(=C/CC(C)C)/C=C(\C)c1cccc(C)c1.c1ccccc1
InChIInChI=1S/C17H24.C6H6/c1-13(2)9-10-15(4)11-16(5)17-8-6-7-14(3)12-17;1-2-4-6-5-3-1/h6-8,10-13H,9H2,1-5H3;1-6H/b15-10-,16-11+;
InChIKeyWAJLJRIIRCARLS-DRGUHZJFSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 57.08
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

4-(3-methylphenyl)pent-3-en-1-amine
CID 76996989
1-(5-chloropent-2-en-2-yl)-3-methylbenzene
CID 79002012
1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene
CID 174069312
N-tert-butyl-4-(3-methylphenyl)pent-3-en-1-amine
CID 79607366
4-methylheptane;1-methyl-2-[(E)-2-(3-methylphenyl)prop-1-enyl]benzene
CID 145300542
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methylbenzene
CID 144614212
3-methylbenzoic acid
CID 7418
1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene
CID 123209273
1-methyl-3-(1-phenylprop-1-enyl)benzene
CID 54065155
1-methyl-4-[4-methyl-1-(4-methylphenyl)pent-1-enyl]benzene
CID 21107287
1-[(Z)-4-bromo-1-fluorobut-2-en-2-yl]-3-methylbenzene
CID 135071585
3-methyl-N-(2-methylpropyl)benzamide
CID 835315

Frequently Asked Questions

What is the IUPAC name of benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene?
The IUPAC name of benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene (CID 144954093) is benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene.
What is the SMILES notation for benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene?
The canonical SMILES for benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene is CC(=C/CC(C)C)/C=C(\C)c1cccc(C)c1.c1ccccc1.
What is the InChIKey of benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene?
The InChIKey is WAJLJRIIRCARLS-DRGUHZJFSA-N. The full InChI is InChI=1S/C17H24.C6H6/c1-13(2)9-10-15(4)11-16(5)17-8-6-7-14(3)12-17;1-2-4-6-5-3-1/h6-8,10-13H,9H2,1-5H3;1-6H/b15-10-,16-11+;.
What are the key properties of benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene?
benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene has a molecular weight of 306.49 g/mol, XLogP of 7.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-[(2E,4Z)-4,7-dimethylocta-2,4-dien-2-yl]-3-methylbenzene is sourced from PubChem (CID 144954093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).