1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate

C10H15ClO2 — CID 146246610

IUPAC1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate
SMILESCC[C@]1(CCl)C=C1C(C)OC(C)=O
InChIInChI=1S/C10H15ClO2/c1-4-10(6-11)5-9(10)7(2)13-8(3)12/h5,7H,4,6H2,1-3H3/t7?,10-/m1/s1
InChIKeyVWVYAWBIGZQRHL-OMNKOJBGSA-N
MW202.68 g/mol
LogP2.51
Rot. Bonds4

About 1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate

1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate (PubChem CID 146246610) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is 1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate.

Molecular Properties

Compound Name1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate
PubChem CID146246610
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Name1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate
SMILESCC[C@]1(CCl)C=C1C(C)OC(C)=O
InChIInChI=1S/C10H15ClO2/c1-4-10(6-11)5-9(10)7(2)13-8(3)12/h5,7H,4,6H2,1-3H3/t7?,10-/m1/s1
InChIKeyVWVYAWBIGZQRHL-OMNKOJBGSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate?
The IUPAC name of 1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate (CID 146246610) is 1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate.
What is the SMILES notation for 1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate?
The canonical SMILES for 1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate is CC[C@]1(CCl)C=C1C(C)OC(C)=O.
What is the InChIKey of 1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate?
The InChIKey is VWVYAWBIGZQRHL-OMNKOJBGSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-4-10(6-11)5-9(10)7(2)13-8(3)12/h5,7H,4,6H2,1-3H3/t7?,10-/m1/s1.
What are the key properties of 1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate?
1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate has a molecular weight of 202.68 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(chloromethyl)-3-ethylcyclopropen-1-yl]ethyl acetate is sourced from PubChem (CID 146246610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).