methyl 2-(2-butylcyclopropylidene)-2-chloroacetate

C10H15ClO2 — CID 71326726

IUPACmethyl 2-(2-butylcyclopropylidene)-2-chloroacetate
SMILESCCCCC1CC1=C(Cl)C(=O)OC
InChIInChI=1S/C10H15ClO2/c1-3-4-5-7-6-8(7)9(11)10(12)13-2/h7H,3-6H2,1-2H3
InChIKeyXCSQJWDQSALDOX-UHFFFAOYSA-N
MW202.68 g/mol
LogP2.86
Rot. Bonds4

About methyl 2-(2-butylcyclopropylidene)-2-chloroacetate

methyl 2-(2-butylcyclopropylidene)-2-chloroacetate (PubChem CID 71326726) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is methyl 2-(2-butylcyclopropylidene)-2-chloroacetate.

Molecular Properties

Compound Namemethyl 2-(2-butylcyclopropylidene)-2-chloroacetate
PubChem CID71326726
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Namemethyl 2-(2-butylcyclopropylidene)-2-chloroacetate
SMILESCCCCC1CC1=C(Cl)C(=O)OC
InChIInChI=1S/C10H15ClO2/c1-3-4-5-7-6-8(7)9(11)10(12)13-2/h7H,3-6H2,1-2H3
InChIKeyXCSQJWDQSALDOX-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-butylcyclopropylidene)-2-chloroacetate?
The IUPAC name of methyl 2-(2-butylcyclopropylidene)-2-chloroacetate (CID 71326726) is methyl 2-(2-butylcyclopropylidene)-2-chloroacetate.
What is the SMILES notation for methyl 2-(2-butylcyclopropylidene)-2-chloroacetate?
The canonical SMILES for methyl 2-(2-butylcyclopropylidene)-2-chloroacetate is CCCCC1CC1=C(Cl)C(=O)OC.
What is the InChIKey of methyl 2-(2-butylcyclopropylidene)-2-chloroacetate?
The InChIKey is XCSQJWDQSALDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-3-4-5-7-6-8(7)9(11)10(12)13-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 2-(2-butylcyclopropylidene)-2-chloroacetate?
methyl 2-(2-butylcyclopropylidene)-2-chloroacetate has a molecular weight of 202.68 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-butylcyclopropylidene)-2-chloroacetate is sourced from PubChem (CID 71326726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).