1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene

C15H20 — CID 59903117

IUPAC1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene
SMILESCc1ccc(C=CC2C(C)C2(C)C)cc1
InChIInChI=1S/C15H20/c1-11-5-7-13(8-6-11)9-10-14-12(2)15(14,3)4/h5-10,12,14H,1-4H3
InChIKeyWPWAGDFYUSLGQK-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.30
Rot. Bonds2

About 1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene

1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene (PubChem CID 59903117) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene
PubChem CID59903117
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene
SMILESCc1ccc(C=CC2C(C)C2(C)C)cc1
InChIInChI=1S/C15H20/c1-11-5-7-13(8-6-11)9-10-14-12(2)15(14,3)4/h5-10,12,14H,1-4H3
InChIKeyWPWAGDFYUSLGQK-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene?
The IUPAC name of 1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene (CID 59903117) is 1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene?
The canonical SMILES for 1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene is Cc1ccc(C=CC2C(C)C2(C)C)cc1.
What is the InChIKey of 1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene?
The InChIKey is WPWAGDFYUSLGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-11-5-7-13(8-6-11)9-10-14-12(2)15(14,3)4/h5-10,12,14H,1-4H3.
What are the key properties of 1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene?
1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene has a molecular weight of 200.32 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2,2,3-trimethylcyclopropyl)ethenyl]benzene is sourced from PubChem (CID 59903117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).