4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene

C16H22 — CID 145439569

IUPAC4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(C)ccc1C(CC)=C(C)C
InChIInChI=1S/C16H22/c1-7-14(11(2)3)15-9-8-13(6)10-16(15)12(4)5/h8-10H,4,7H2,1-3,5-6H3
InChIKeyRQKAGDUHNNHANI-UHFFFAOYSA-N
MW214.35 g/mol
LogP5.23
Rot. Bonds3

About 4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene

4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene (PubChem CID 145439569) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene
PubChem CID145439569
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cc(C)ccc1C(CC)=C(C)C
InChIInChI=1S/C16H22/c1-7-14(11(2)3)15-9-8-13(6)10-16(15)12(4)5/h8-10H,4,7H2,1-3,5-6H3
InChIKeyRQKAGDUHNNHANI-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-methyl-2-prop-1-en-2-ylbenzene
CID 101458254
ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene
CID 167502985
ethane;5-methyl-2-prop-1-en-2-ylaniline
CID 142496238
2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine
CID 174410424
2-but-1-en-2-yl-5-methylbenzoic acid
CID 124704761
1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene
CID 167484189
2,4-dimethyl-1-(4-methyl-2-prop-1-en-2-ylphenyl)benzene
CID 142964913
2-but-1-en-2-yl-4-methylphenol
CID 142975945
4-[3,4-bis(prop-1-en-2-yl)phenyl]-1,2-bis(prop-1-en-2-yl)benzene
CID 176568889
1,2-bis(prop-1-en-2-yl)benzene;1,4-xylene
CID 143494216
1,4-dimethyl-2-prop-1-en-2-ylbenzene;ethane;3-ethylpentane;2-methylprop-1-ene;propane;1,2-xylene
CID 171512007
2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol
CID 59444390

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene?
The IUPAC name of 4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene (CID 145439569) is 4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene is C=C(C)c1cc(C)ccc1C(CC)=C(C)C.
What is the InChIKey of 4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene?
The InChIKey is RQKAGDUHNNHANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-7-14(11(2)3)15-9-8-13(6)10-16(15)12(4)5/h8-10H,4,7H2,1-3,5-6H3.
What are the key properties of 4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene?
4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene has a molecular weight of 214.35 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 145439569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).