1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene

C18H26 — CID 143048461

IUPAC1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene
SMILESC=C(CCCC)c1ccc(/C=C/C(C)(C)C)cc1
InChIInChI=1S/C18H26/c1-6-7-8-15(2)17-11-9-16(10-12-17)13-14-18(3,4)5/h9-14H,2,6-8H2,1,3-5H3/b14-13+
InChIKeyMVKMCNRIZXPZMT-BUHFOSPRSA-N
MW242.41 g/mol
LogP5.95
Rot. Bonds5

About 1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene

1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene (PubChem CID 143048461) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene
PubChem CID143048461
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene
SMILESC=C(CCCC)c1ccc(/C=C/C(C)(C)C)cc1
InChIInChI=1S/C18H26/c1-6-7-8-15(2)17-11-9-16(10-12-17)13-14-18(3,4)5/h9-14H,2,6-8H2,1,3-5H3/b14-13+
InChIKeyMVKMCNRIZXPZMT-BUHFOSPRSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]-N-ethylethenamine
CID 143048491
2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine
CID 143048623
1-butoxy-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 167030876
1-hex-1-en-2-yl-4-propylbenzene
CID 22166244
buta-1,3-diene;hex-1-en-2-ylbenzene;styrene
CID 173447370
1-dec-1-en-2-yl-4-methylbenzene
CID 3805374
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 22712636
3,3-dimethylbut-1-enylbenzene;2-methylidenebutanoic acid
CID 122506202
N-tert-butyl-4-(3,3-dimethylbut-1-enyl)benzamide
CID 72568780
1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene
CID 15247721
4-tetracos-1-en-2-ylpyridine
CID 69120272

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene?
The IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene (CID 143048461) is 1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene.
What is the SMILES notation for 1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene?
The canonical SMILES for 1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene is C=C(CCCC)c1ccc(/C=C/C(C)(C)C)cc1.
What is the InChIKey of 1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene?
The InChIKey is MVKMCNRIZXPZMT-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H26/c1-6-7-8-15(2)17-11-9-16(10-12-17)13-14-18(3,4)5/h9-14H,2,6-8H2,1,3-5H3/b14-13+.
What are the key properties of 1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene?
1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene has a molecular weight of 242.41 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene is sourced from PubChem (CID 143048461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).