ethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate

C10H15ClO2 — CID 88755422

IUPACethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate
SMILESCCOC(=O)/C(Cl)=C/C1CC1(C)C
InChIInChI=1S/C10H15ClO2/c1-4-13-9(12)8(11)5-7-6-10(7,2)3/h5,7H,4,6H2,1-3H3/b8-5-
InChIKeyRJVJEDFTCSKAIW-YVMONPNESA-N
MW202.68 g/mol
LogP2.72
Rot. Bonds3

About ethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate

ethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate (PubChem CID 88755422) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is ethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate
PubChem CID88755422
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Nameethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate
SMILESCCOC(=O)/C(Cl)=C/C1CC1(C)C
InChIInChI=1S/C10H15ClO2/c1-4-13-9(12)8(11)5-7-6-10(7,2)3/h5,7H,4,6H2,1-3H3/b8-5-
InChIKeyRJVJEDFTCSKAIW-YVMONPNESA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.72
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 ethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate (CID 88755422) is ethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate is CCOC(=O)/C(Cl)=C/C1CC1(C)C.
What is the InChIKey of ethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate?
The InChIKey is RJVJEDFTCSKAIW-YVMONPNESA-N. The full InChI is InChI=1S/C10H15ClO2/c1-4-13-9(12)8(11)5-7-6-10(7,2)3/h5,7H,4,6H2,1-3H3/b8-5-.
What are the key properties of ethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate?
ethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate has a molecular weight of 202.68 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate is sourced from PubChem (CID 88755422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).