methyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate

C11H16O2 — CID 23331045

IUPACmethyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate
SMILESCOC(=O)C1=C(C=C(C)C)C1(C)C
InChIInChI=1S/C11H16O2/c1-7(2)6-8-9(10(12)13-5)11(8,3)4/h6H,1-5H3
InChIKeyAAKUJVGQYIVXDG-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.46
Rot. Bonds2

About methyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate

methyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate (PubChem CID 23331045) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is methyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate
PubChem CID23331045
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namemethyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate
SMILESCOC(=O)C1=C(C=C(C)C)C1(C)C
InChIInChI=1S/C11H16O2/c1-7(2)6-8-9(10(12)13-5)11(8,3)4/h6H,1-5H3
InChIKeyAAKUJVGQYIVXDG-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate?
The IUPAC name of methyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate (CID 23331045) is methyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate.
What is the SMILES notation for methyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate?
The canonical SMILES for methyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate is COC(=O)C1=C(C=C(C)C)C1(C)C.
What is the InChIKey of methyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate?
The InChIKey is AAKUJVGQYIVXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7(2)6-8-9(10(12)13-5)11(8,3)4/h6H,1-5H3.
What are the key properties of methyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate?
methyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate has a molecular weight of 180.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dimethyl-2-(2-methylprop-1-enyl)cyclopropene-1-carboxylate is sourced from PubChem (CID 23331045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).