1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene

C16H24 — CID 22712636

IUPAC1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
SMILESCC(C)(C)/C=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24/c1-15(2,3)12-11-13-7-9-14(10-8-13)16(4,5)6/h7-12H,1-6H3/b12-11+
InChIKeyCHBPVVHSEGDALK-VAWYXSNFSA-N
MW216.37 g/mol
LogP5.04
Rot. Bonds1

About 1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene

1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene (PubChem CID 22712636) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
PubChem CID22712636
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
SMILESCC(C)(C)/C=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H24/c1-15(2,3)12-11-13-7-9-14(10-8-13)16(4,5)6/h7-12H,1-6H3/b12-11+
InChIKeyCHBPVVHSEGDALK-VAWYXSNFSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
CID 22975197
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene
CID 58550641
1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene
CID 10012750
1-tert-butyl-4-ethenylbenzene
CID 15627
4-[(E)-3,3-dimethylbut-1-enyl]pyridine
CID 59172126
6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene
CID 162123922
(1R)-1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]ethanamine
CID 131380842
[(E)-2-(4-tert-butylphenyl)ethenyl]-trimethylsilane
CID 102486403
N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72568780
1-(3-bromoprop-1-enyl)-4-tert-butylbenzene
CID 79323485
3,3-dimethylbut-1-enylbenzene;1,2-xylene
CID 173385889

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene?
The IUPAC name of 1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene (CID 22712636) is 1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene is CC(C)(C)/C=C/c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene?
The InChIKey is CHBPVVHSEGDALK-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H24/c1-15(2,3)12-11-13-7-9-14(10-8-13)16(4,5)6/h7-12H,1-6H3/b12-11+.
What are the key properties of 1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene?
1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene has a molecular weight of 216.37 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene is sourced from PubChem (CID 22712636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).