1-ethoxycyclopropane-1-carbonyl chloride

C6H9ClO2 — CID 45081272

IUPAC1-ethoxycyclopropane-1-carbonyl chloride
SMILESCCOC1(C(=O)Cl)CC1
InChIInChI=1S/C6H9ClO2/c1-2-9-6(3-4-6)5(7)8/h2-4H2,1H3
InChIKeyRZHJMEGFAIKFTC-UHFFFAOYSA-N
MW148.59 g/mol
LogP1.32
Rot. Bonds3

About 1-ethoxycyclopropane-1-carbonyl chloride

1-ethoxycyclopropane-1-carbonyl chloride (PubChem CID 45081272) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is 1-ethoxycyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name1-ethoxycyclopropane-1-carbonyl chloride
PubChem CID45081272
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Name1-ethoxycyclopropane-1-carbonyl chloride
SMILESCCOC1(C(=O)Cl)CC1
InChIInChI=1S/C6H9ClO2/c1-2-9-6(3-4-6)5(7)8/h2-4H2,1H3
InChIKeyRZHJMEGFAIKFTC-UHFFFAOYSA-N
XLogP1.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxycyclopropane-1-carbonyl chloride?
The IUPAC name of 1-ethoxycyclopropane-1-carbonyl chloride (CID 45081272) is 1-ethoxycyclopropane-1-carbonyl chloride.
What is the SMILES notation for 1-ethoxycyclopropane-1-carbonyl chloride?
The canonical SMILES for 1-ethoxycyclopropane-1-carbonyl chloride is CCOC1(C(=O)Cl)CC1.
What is the InChIKey of 1-ethoxycyclopropane-1-carbonyl chloride?
The InChIKey is RZHJMEGFAIKFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2/c1-2-9-6(3-4-6)5(7)8/h2-4H2,1H3.
What are the key properties of 1-ethoxycyclopropane-1-carbonyl chloride?
1-ethoxycyclopropane-1-carbonyl chloride has a molecular weight of 148.59 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxycyclopropane-1-carbonyl chloride is sourced from PubChem (CID 45081272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).