methyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate

C10H16O2 — CID 130374981

IUPACmethyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate
SMILESC=C(C)CC1(CC(=O)OC)CC1
InChIInChI=1S/C10H16O2/c1-8(2)6-10(4-5-10)7-9(11)12-3/h1,4-7H2,2-3H3
InChIKeyMWXSBAFGTUWTFG-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds4

About methyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate

methyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate (PubChem CID 130374981) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate
PubChem CID130374981
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate
SMILESC=C(C)CC1(CC(=O)OC)CC1
InChIInChI=1S/C10H16O2/c1-8(2)6-10(4-5-10)7-9(11)12-3/h1,4-7H2,2-3H3
InChIKeyMWXSBAFGTUWTFG-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
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-[1-(2-methylprop-2-enyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate (CID 130374981) is methyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate is C=C(C)CC1(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate?
The InChIKey is MWXSBAFGTUWTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)6-10(4-5-10)7-9(11)12-3/h1,4-7H2,2-3H3.
What are the key properties of methyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate?
methyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methylprop-2-enyl)cyclopropyl]acetate is sourced from PubChem (CID 130374981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).