(4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene

C42H60 — CID 143867717

IUPAC(4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene
SMILESC=C(/C=C\C=C(C)C)C(C)(CC)C(C)(CC)C(C)C.Cc1cc(C)c(C)c(C)c1.Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H34.C13H12.C10H14/c1-10-18(8,16(5)6)19(9,11-2)17(7)14-12-13-15(3)4;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-7-5-8(2)10(4)9(3)6-7/h12-14,16H,7,10-11H2,1-6,8-9H3;2-10H,1H3;5-6H,1-4H3/b14-12-;;
InChIKeyRTUSWVCZLHYFMX-NEKXZPCZSA-N
MW564.94 g/mol
LogP13.14
Rot. Bonds8

About (4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene

(4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene (PubChem CID 143867717) has the molecular formula C42H60 and a molecular weight of 564.94 g/mol. Its IUPAC name is (4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene.

Molecular Properties

Compound Name(4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene
PubChem CID143867717
Molecular FormulaC42H60
Molecular Weight564.94 g/mol
Exact Mass564.47
IUPAC Name(4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene
SMILESC=C(/C=C\C=C(C)C)C(C)(CC)C(C)(CC)C(C)C.Cc1cc(C)c(C)c(C)c1.Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H34.C13H12.C10H14/c1-10-18(8,16(5)6)19(9,11-2)17(7)14-12-13-15(3)4;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-7-5-8(2)10(4)9(3)6-7/h12-14,16H,7,10-11H2,1-6,8-9H3;2-10H,1H3;5-6H,1-4H3/b14-12-;;
InChIKeyRTUSWVCZLHYFMX-NEKXZPCZSA-N
XLogP13.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.94
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene with MolForge

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Related Compounds

ethene;1-methyl-3-phenylbenzene
CID 142622149
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene
CID 142561273
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
methanamine;1-methyl-3-phenylbenzene
CID 145414985
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051

Frequently Asked Questions

What is the IUPAC name of (4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene?
The IUPAC name of (4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene (CID 143867717) is (4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene.
What is the SMILES notation for (4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene?
The canonical SMILES for (4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene is C=C(/C=C\C=C(C)C)C(C)(CC)C(C)(CC)C(C)C.Cc1cc(C)c(C)c(C)c1.Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of (4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene?
The InChIKey is RTUSWVCZLHYFMX-NEKXZPCZSA-N. The full InChI is InChI=1S/C19H34.C13H12.C10H14/c1-10-18(8,16(5)6)19(9,11-2)17(7)14-12-13-15(3)4;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-7-5-8(2)10(4)9(3)6-7/h12-14,16H,7,10-11H2,1-6,8-9H3;2-10H,1H3;5-6H,1-4H3/b14-12-;;.
What are the key properties of (4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene?
(4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene has a molecular weight of 564.94 g/mol, XLogP of 13.14, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-7,8-diethyl-2,7,8,9-tetramethyl-6-methylidenedeca-2,4-diene;1-methyl-3-phenylbenzene;1,2,3,5-tetramethylbenzene is sourced from PubChem (CID 143867717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).