1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene

C36H48 — CID 58823326

IUPAC1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene
SMILESCC=Cc1c(C)c(C)c(-c2c(C)c(C)c(-c3c(C)c(C)c(CCC)c(C)c3C)c(C)c2C)c(C)c1C
InChIInChI=1S/C36H48/c1-15-17-31-19(3)23(7)33(24(8)20(31)4)35-27(11)29(13)36(30(14)28(35)12)34-25(9)21(5)32(18-16-2)22(6)26(34)10/h15,17H,16,18H2,1-14H3
InChIKeyRUVUBYUFEPWZNH-UHFFFAOYSA-N
MW480.78 g/mol
LogP10.71
Rot. Bonds5

About 1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene

1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene (PubChem CID 58823326) has the molecular formula C36H48 and a molecular weight of 480.78 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene
PubChem CID58823326
Molecular FormulaC36H48
Molecular Weight480.78 g/mol
Exact Mass480.38
IUPAC Name1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene
SMILESCC=Cc1c(C)c(C)c(-c2c(C)c(C)c(-c3c(C)c(C)c(CCC)c(C)c3C)c(C)c2C)c(C)c1C
InChIInChI=1S/C36H48/c1-15-17-31-19(3)23(7)33(24(8)20(31)4)35-27(11)29(13)36(30(14)28(35)12)34-25(9)21(5)32(18-16-2)22(6)26(34)10/h15,17H,16,18H2,1-14H3
InChIKeyRUVUBYUFEPWZNH-UHFFFAOYSA-N
XLogP10.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.78
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5-pentamethyl-6-[2-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 59927845
2-ethenyl-4,6-dimethyl-3-[(Z)-prop-1-enyl]-5-propylphosphinine
CID 170029806
(5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene
CID 174151451
1-fluoro-2,4,5-trimethyl-3-propylbenzene
CID 146341300
1-(2,3,4,5-tetramethyl-6-prop-1-enylphenyl)naphthalene
CID 159474503
1-ethyl-2,3,5,6-tetramethyl-4-propylpyridin-1-ium
CID 159545939
2-ethyl-3,4,5,6-tetramethylbenzaldehyde
CID 71410306
1,5-bis(ethenyl)-2-methyl-3,4,6-tris[(Z)-prop-1-enyl]benzene
CID 143846029
1,2,3,5-tetramethyl-4-prop-1-enylbenzene
CID 173045732
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
2,3,4,5-tetramethyl-6-propylpyridine;2,3,5,6-tetramethyl-4-propylpyridine
CID 160753503
1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene
CID 155174997

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene?
The IUPAC name of 1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene (CID 58823326) is 1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene.
What is the SMILES notation for 1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene?
The canonical SMILES for 1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene is CC=Cc1c(C)c(C)c(-c2c(C)c(C)c(-c3c(C)c(C)c(CCC)c(C)c3C)c(C)c2C)c(C)c1C.
What is the InChIKey of 1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene?
The InChIKey is RUVUBYUFEPWZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48/c1-15-17-31-19(3)23(7)33(24(8)20(31)4)35-27(11)29(13)36(30(14)28(35)12)34-25(9)21(5)32(18-16-2)22(6)26(34)10/h15,17H,16,18H2,1-14H3.
What are the key properties of 1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene?
1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene has a molecular weight of 480.78 g/mol, XLogP of 10.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-3-prop-1-enyl-6-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethyl-4-propylphenyl)phenyl]benzene is sourced from PubChem (CID 58823326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).