1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene

C15H22 — CID 100987679

IUPAC1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene
SMILESC=C(c1cc(C)c(C)cc1C)C(C)(C)C
InChIInChI=1S/C15H22/c1-10-8-12(3)14(9-11(10)2)13(4)15(5,6)7/h8-9H,4H2,1-3,5-7H3
InChIKeyREXYEADASYHBDF-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.67
Rot. Bonds1

About 1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene

1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene (PubChem CID 100987679) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene
PubChem CID100987679
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene
SMILESC=C(c1cc(C)c(C)cc1C)C(C)(C)C
InChIInChI=1S/C15H22/c1-10-8-12(3)14(9-11(10)2)13(4)15(5,6)7/h8-9H,4H2,1-3,5-7H3
InChIKeyREXYEADASYHBDF-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene?
The IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene (CID 100987679) is 1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene.
What is the SMILES notation for 1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene?
The canonical SMILES for 1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene is C=C(c1cc(C)c(C)cc1C)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene?
The InChIKey is REXYEADASYHBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-10-8-12(3)14(9-11(10)2)13(4)15(5,6)7/h8-9H,4H2,1-3,5-7H3.
What are the key properties of 1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene?
1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbut-1-en-2-yl)-2,4,5-trimethylbenzene is sourced from PubChem (CID 100987679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).