methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate

C8H12O2 — CID 45089915

IUPACmethyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate
SMILESC=C1C(C(=O)OC)C1(C)C
InChIInChI=1S/C8H12O2/c1-5-6(7(9)10-4)8(5,2)3/h6H,1H2,2-4H3
InChIKeyPHENAKAKDREENE-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.37
Rot. Bonds1

About methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate

methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate (PubChem CID 45089915) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate
PubChem CID45089915
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namemethyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate
SMILESC=C1C(C(=O)OC)C1(C)C
InChIInChI=1S/C8H12O2/c1-5-6(7(9)10-4)8(5,2)3/h6H,1H2,2-4H3
InChIKeyPHENAKAKDREENE-UHFFFAOYSA-N
XLogP1.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate (CID 45089915) is methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate is C=C1C(C(=O)OC)C1(C)C.
What is the InChIKey of methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate?
The InChIKey is PHENAKAKDREENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-6(7(9)10-4)8(5,2)3/h6H,1H2,2-4H3.
What are the key properties of methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate?
methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate has a molecular weight of 140.18 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-methylidenecyclopropane-1-carboxylate is sourced from PubChem (CID 45089915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).