1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene

C23H34 — CID 123497944

IUPAC1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene
SMILESCCC(C)C(C)(CC1=CCCC=C1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H34/c1-7-18(2)23(6,17-19-11-9-8-10-12-19)21-15-13-20(14-16-21)22(3,4)5/h9,11-16,18H,7-8,10,17H2,1-6H3
InChIKeyAROOJGAENYIJGD-UHFFFAOYSA-N
MW310.53 g/mol
LogP6.95
Rot. Bonds5

About 1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene

1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene (PubChem CID 123497944) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene
PubChem CID123497944
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene
SMILESCCC(C)C(C)(CC1=CCCC=C1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H34/c1-7-18(2)23(6,17-19-11-9-8-10-12-19)21-15-13-20(14-16-21)22(3,4)5/h9,11-16,18H,7-8,10,17H2,1-6H3
InChIKeyAROOJGAENYIJGD-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-ethyl-3-methylbutyl)cyclohexa-1,3-diene
CID 145230170
4-tert-butyl-N-(4-tert-butylphenyl)-N-cyclohexa-1,5-dien-1-ylaniline;ethane
CID 142315205
N-(cyclohexa-1,5-dien-1-ylmethyl)propan-2-amine;ethane
CID 144703762
(4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
CID 113072939
1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385
2-tert-butylcyclohexa-1,3-diene;phosphane
CID 159538716
2-(3-prop-1-enyloct-5-enyl)cyclohexa-1,3-diene
CID 91149267
3-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpentan-2-one
CID 178167947
3-cyclohexa-1,5-dien-1-yl-1,1-diethoxypropan-2-amine
CID 143394199
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
2-cyclohexa-1,5-dien-1-ylethanethiol
CID 143709620
2-(3-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)cyclopenta-1,3-diene
CID 87447368

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene?
The IUPAC name of 1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene (CID 123497944) is 1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene?
The canonical SMILES for 1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene is CCC(C)C(C)(CC1=CCCC=C1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene?
The InChIKey is AROOJGAENYIJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34/c1-7-18(2)23(6,17-19-11-9-8-10-12-19)21-15-13-20(14-16-21)22(3,4)5/h9,11-16,18H,7-8,10,17H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene?
1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene has a molecular weight of 310.53 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1-cyclohexa-1,5-dien-1-yl-2,3-dimethylpentan-2-yl)benzene is sourced from PubChem (CID 123497944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).