1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene

C28H40 — CID 20707147

IUPAC1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene
SMILESCCCC(C)(C)c1ccc(C)c(C(=C(C)C)c2c(C)c(C)c(C)c(C)c2C)c1
InChIInChI=1S/C28H40/c1-12-15-28(10,11)24-14-13-18(4)25(16-24)26(17(2)3)27-22(8)20(6)19(5)21(7)23(27)9/h13-14,16H,12,15H2,1-11H3
InChIKeyGVJCMXOFTKFAAA-UHFFFAOYSA-N
MW376.63 g/mol
LogP8.46
Rot. Bonds5

About 1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene

1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene (PubChem CID 20707147) has the molecular formula C28H40 and a molecular weight of 376.63 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene
PubChem CID20707147
Molecular FormulaC28H40
Molecular Weight376.63 g/mol
Exact Mass376.31
IUPAC Name1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene
SMILESCCCC(C)(C)c1ccc(C)c(C(=C(C)C)c2c(C)c(C)c(C)c(C)c2C)c1
InChIInChI=1S/C28H40/c1-12-15-28(10,11)24-14-13-18(4)25(16-24)26(17(2)3)27-22(8)20(6)19(5)21(7)23(27)9/h13-14,16H,12,15H2,1-11H3
InChIKeyGVJCMXOFTKFAAA-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methoxy-5-(2-methylpentan-2-yl)phenol
CID 23093288
5-(1-carboxy-2-methylpropan-2-yl)-2-methylbenzoic acid
CID 117344631
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
5-(2-methylpentan-2-yl)-1-benzothiophene
CID 134565390
1-(5-tert-butyl-2-methylphenyl)ethanimine
CID 175634188
1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene
CID 134341639
CID 174136543
CID 174136543
1,2-bis(diethoxymethyl)-4-(2-methylpentan-2-yl)benzene
CID 19016990
4-methyl-3-(2-methylpentan-2-yl)benzenesulfinic acid
CID 174290006
carbanide;methane;1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]prop-1-enyl]benzene;1,2,3,4,5-pentamethyl-6-[2-[2-methyl-5-(2-methylpentan-2-yl)benzene-4-id-1-yl]propan-2-yl]benzene;bis(yttrium)
CID 159512363
1-(2-methylpentan-2-yl)-3-methylsulfanylbenzene
CID 138736079
ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol
CID 142882643

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene (CID 20707147) is 1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene is CCCC(C)(C)c1ccc(C)c(C(=C(C)C)c2c(C)c(C)c(C)c(C)c2C)c1.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene?
The InChIKey is GVJCMXOFTKFAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40/c1-12-15-28(10,11)24-14-13-18(4)25(16-24)26(17(2)3)27-22(8)20(6)19(5)21(7)23(27)9/h13-14,16H,12,15H2,1-11H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene?
1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene has a molecular weight of 376.63 g/mol, XLogP of 8.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-6-[2-methyl-1-[2-methyl-5-(2-methylpentan-2-yl)phenyl]prop-1-enyl]benzene is sourced from PubChem (CID 20707147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).