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

C14H22O2 — CID 23274297

IUPACmethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-prop-2-enylcyclopropane-1-carboxylate
SMILESC=CCC1(C(=O)OC)C(C=C(C)C)C1(C)C
InChIInChI=1S/C14H22O2/c1-7-8-14(12(15)16-6)11(9-10(2)3)13(14,4)5/h7,9,11H,1,8H2,2-6H3
InChIKeyNAERZGDALLGZOQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.34
Rot. Bonds4

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

methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-prop-2-enylcyclopropane-1-carboxylate (PubChem CID 23274297) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-prop-2-enylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-prop-2-enylcyclopropane-1-carboxylate
PubChem CID23274297
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namemethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-prop-2-enylcyclopropane-1-carboxylate
SMILESC=CCC1(C(=O)OC)C(C=C(C)C)C1(C)C
InChIInChI=1S/C14H22O2/c1-7-8-14(12(15)16-6)11(9-10(2)3)13(14,4)5/h7,9,11H,1,8H2,2-6H3
InChIKeyNAERZGDALLGZOQ-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.34
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-(2-methylprop-1-enyl)-1-prop-2-enylcyclopropane-1-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-prop-2-enylcyclopropane-1-carboxylate (CID 23274297) is methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-prop-2-enylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-prop-2-enylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-prop-2-enylcyclopropane-1-carboxylate is C=CCC1(C(=O)OC)C(C=C(C)C)C1(C)C.
What is the InChIKey of methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-prop-2-enylcyclopropane-1-carboxylate?
The InChIKey is NAERZGDALLGZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-7-8-14(12(15)16-6)11(9-10(2)3)13(14,4)5/h7,9,11H,1,8H2,2-6H3.
What are the key properties of methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-prop-2-enylcyclopropane-1-carboxylate?
methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-prop-2-enylcyclopropane-1-carboxylate has a molecular weight of 222.33 g/mol, XLogP of 3.34, 4 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-(2-methylprop-1-enyl)-1-prop-2-enylcyclopropane-1-carboxylate is sourced from PubChem (CID 23274297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).