1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene

C24H32 — CID 163571858

IUPAC1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene
SMILESC=C(c1ccc(Cc2ccc(CCC(C)C)cc2)cc1)C(C)(C)C
InChIInChI=1S/C24H32/c1-18(2)7-8-20-9-11-21(12-10-20)17-22-13-15-23(16-14-22)19(3)24(4,5)6/h9-16,18H,3,7-8,17H2,1-2,4-6H3
InChIKeyGAANRYMQPSLADR-UHFFFAOYSA-N
MW320.52 g/mol
LogP6.93
Rot. Bonds6

About 1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene

1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene (PubChem CID 163571858) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene
PubChem CID163571858
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene
SMILESC=C(c1ccc(Cc2ccc(CCC(C)C)cc2)cc1)C(C)(C)C
InChIInChI=1S/C24H32/c1-18(2)7-8-20-9-11-21(12-10-20)17-22-13-15-23(16-14-22)19(3)24(4,5)6/h9-16,18H,3,7-8,17H2,1-2,4-6H3
InChIKeyGAANRYMQPSLADR-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3-methylbutyl)benzenecarbothioamide
CID 54180447
4-(3-methylbutyl)benzenecarboximidamide
CID 137472926
4-(6-methylheptyl)benzoic acid
CID 70349425
ethene;3-methylbutylbenzene
CID 145421013
1,4-bis[(3R)-3,7-dimethyloctyl]benzene
CID 94774977
4-(4-but-1-en-2-ylphenyl)-2-methyl-N-(2-methylbutyl)-N-(2-methylpropyl)butan-1-amine
CID 134593388
4-(3,4,4-trimethylpentyl)benzoic acid
CID 143655581
1-prop-1-en-2-yl-4-[(4-propylphenyl)methyl]benzene
CID 153374408
N-hydroxy-4-(4-methylpentyl)benzamide
CID 59854516
ethyl 5-[[4-(3-methylbutyl)phenyl]methyl]pyridine-3-carboxylate
CID 123673356
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221
4-[4-(3-methylbutyl)phenoxy]phenol
CID 10199007

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene?
The IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene (CID 163571858) is 1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene?
The canonical SMILES for 1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene is C=C(c1ccc(Cc2ccc(CCC(C)C)cc2)cc1)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene?
The InChIKey is GAANRYMQPSLADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32/c1-18(2)7-8-20-9-11-21(12-10-20)17-22-13-15-23(16-14-22)19(3)24(4,5)6/h9-16,18H,3,7-8,17H2,1-2,4-6H3.
What are the key properties of 1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene?
1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene has a molecular weight of 320.52 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbut-1-en-2-yl)-4-[[4-(3-methylbutyl)phenyl]methyl]benzene is sourced from PubChem (CID 163571858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).