2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene

C16H24 — CID 145154814

IUPAC2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene
SMILESC=C(C)C.C=C(C)c1cc(C)cc(C)c1C
InChIInChI=1S/C12H16.C4H8/c1-8(2)12-7-9(3)6-10(4)11(12)5;1-4(2)3/h6-7H,1H2,2-5H3;1H2,2-3H3
InChIKeyQQUZFEPNKIDKKI-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.23
Rot. Bonds1

About 2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene

2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene (PubChem CID 145154814) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene
PubChem CID145154814
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene
SMILESC=C(C)C.C=C(C)c1cc(C)cc(C)c1C
InChIInChI=1S/C12H16.C4H8/c1-8(2)12-7-9(3)6-10(4)11(12)5;1-4(2)3/h6-7H,1H2,2-5H3;1H2,2-3H3
InChIKeyQQUZFEPNKIDKKI-UHFFFAOYSA-N
XLogP5.23
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 ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-6-prop-1-en-2-ylaniline
CID 144506945
2-ethenyl-1,5-dimethyl-3-prop-1-en-2-ylbenzene
CID 145238081
ethane;1-(2,3,5-trimethylphenyl)ethanone
CID 145375991
1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene
CID 149146879
2,4-dimethyl-1-(4-methyl-2-prop-1-en-2-ylphenyl)benzene
CID 142964913
1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane
CID 144506946
indium(3+);tris(2,3,5-trimethylbenzoate)
CID 22604763
5-hexyl-2-methyl-1,3-bis(prop-1-en-2-yl)benzene
CID 22002978
(1Z,3Z)-N-methyl-5-(2,3,5-trimethylphenyl)hexa-1,3,5-trien-1-amine
CID 121342882
2-amino-1-(2,3,5-trimethylphenyl)ethanone
CID 117277600
2-N,3-N-bis(2,3,5-trimethylphenyl)butane-2,3-diimine
CID 138473090
ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene
CID 163218853

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene?
The IUPAC name of 2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene (CID 145154814) is 2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene is C=C(C)C.C=C(C)c1cc(C)cc(C)c1C.
What is the InChIKey of 2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene?
The InChIKey is QQUZFEPNKIDKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C4H8/c1-8(2)12-7-9(3)6-10(4)11(12)5;1-4(2)3/h6-7H,1H2,2-5H3;1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene?
2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene has a molecular weight of 216.37 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 145154814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).