1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene

C18H28 — CID 142040309

IUPAC1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)/C=C/c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C18H28/c1-7-17(3,4)14-13-15-9-11-16(12-10-15)18(5,6)8-2/h9-14H,7-8H2,1-6H3/b14-13+
InChIKeyMAYFZKUOXIIVTL-BUHFOSPRSA-N
MW244.42 g/mol
LogP5.82
Rot. Bonds5

About 1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene

1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene (PubChem CID 142040309) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene
PubChem CID142040309
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)/C=C/c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C18H28/c1-7-17(3,4)14-13-15-9-11-16(12-10-15)18(5,6)8-2/h9-14H,7-8H2,1-6H3/b14-13+
InChIKeyMAYFZKUOXIIVTL-BUHFOSPRSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-bromobut-1-enyl)-4-(2-methylbutan-2-yl)benzene
CID 57192877
1-methyl-4-[(E)-3-methyl-1-[4-[(E)-3-methyl-1-(4-methylphenyl)pent-1-en-3-yl]phenyl]pent-1-en-3-yl]benzene
CID 143526426
(E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol
CID 70593389
1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 22712636
1-(2-methylbutan-2-yl)-4-(3-methylhex-5-en-3-yl)benzene
CID 154692080
4-[2-[4-(2-methylbutan-2-yl)phenyl]ethenyl]-1,3-thiazol-2-amine
CID 77120064
tris[4-(2-methylbutan-2-yl)phenyl]phosphane
CID 12900990
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
1-ethenylsulfonyl-4-(2-methylbutan-2-yl)benzene
CID 23466878
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
1-(2-methylbutan-2-yl)-4-methylsulfanyloxybenzene
CID 143233816
methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium
CID 23463777

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene (CID 142040309) is 1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene is CCC(C)(C)/C=C/c1ccc(C(C)(C)CC)cc1.
What is the InChIKey of 1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene?
The InChIKey is MAYFZKUOXIIVTL-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H28/c1-7-17(3,4)14-13-15-9-11-16(12-10-15)18(5,6)8-2/h9-14H,7-8H2,1-6H3/b14-13+.
What are the key properties of 1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene?
1-[(E)-3,3-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene has a molecular weight of 244.42 g/mol, XLogP of 5.82, 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-dimethylpent-1-enyl]-4-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 142040309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).