1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene

C46H62 — CID 144596149

IUPAC1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene
SMILESC/C=C(C)\C=C(/C)c1cccc(C)c1.CC.CC.CC1=C(C2=C(C)C(C)CC=C2)CCC=C1.Cc1ccccc1-c1ccccc1
InChIInChI=1S/C15H20.C14H18.C13H12.2C2H6/c1-11-8-6-10-15(13(11)3)14-9-5-4-7-12(14)2;1-5-11(2)9-13(4)14-8-6-7-12(3)10-14;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2*1-2/h4,6-7,10-11H,5,8-9H2,1-3H3;5-10H,1-4H3;2-10H,1H3;2*1-2H3/b;11-5-,13-9+;;;
InChIKeyLGZKOIBELLRTFY-VFHKWCTRSA-N
MW615.00 g/mol
LogP14.64
Rot. Bonds4

About 1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene

1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene (PubChem CID 144596149) has the molecular formula C46H62 and a molecular weight of 615.00 g/mol. Its IUPAC name is 1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene.

Molecular Properties

Compound Name1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene
PubChem CID144596149
Molecular FormulaC46H62
Molecular Weight615.00 g/mol
Exact Mass614.49
IUPAC Name1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene
SMILESC/C=C(C)\C=C(/C)c1cccc(C)c1.CC.CC.CC1=C(C2=C(C)C(C)CC=C2)CCC=C1.Cc1ccccc1-c1ccccc1
InChIInChI=1S/C15H20.C14H18.C13H12.2C2H6/c1-11-8-6-10-15(13(11)3)14-9-5-4-7-12(14)2;1-5-11(2)9-13(4)14-8-6-7-12(3)10-14;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2*1-2/h4,6-7,10-11H,5,8-9H2,1-3H3;5-10H,1-4H3;2-10H,1H3;2*1-2H3/b;11-5-,13-9+;;;
InChIKeyLGZKOIBELLRTFY-VFHKWCTRSA-N
XLogP14.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.00
LogP ≤ 514.64
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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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene?
The IUPAC name of 1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene (CID 144596149) is 1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene.
What is the SMILES notation for 1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene?
The canonical SMILES for 1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene is C/C=C(C)\C=C(/C)c1cccc(C)c1.CC.CC.CC1=C(C2=C(C)C(C)CC=C2)CCC=C1.Cc1ccccc1-c1ccccc1.
What is the InChIKey of 1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene?
The InChIKey is LGZKOIBELLRTFY-VFHKWCTRSA-N. The full InChI is InChI=1S/C15H20.C14H18.C13H12.2C2H6/c1-11-8-6-10-15(13(11)3)14-9-5-4-7-12(14)2;1-5-11(2)9-13(4)14-8-6-7-12(3)10-14;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2*1-2/h4,6-7,10-11H,5,8-9H2,1-3H3;5-10H,1-4H3;2-10H,1H3;2*1-2H3/b;11-5-,13-9+;;;.
What are the key properties of 1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene?
1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene has a molecular weight of 615.00 g/mol, XLogP of 14.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene;ethane;1-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]benzene;1-methyl-2-phenylbenzene is sourced from PubChem (CID 144596149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).