1-cyclopropylethyl carbonochloridate

C6H9ClO2 — CID 13295034

IUPAC1-cyclopropylethyl carbonochloridate
SMILESCC(OC(=O)Cl)C1CC1
InChIInChI=1S/C6H9ClO2/c1-4(5-2-3-5)9-6(7)8/h4-5H,2-3H2,1H3
InChIKeyMOMPCGIMVKVCOJ-UHFFFAOYSA-N
MW148.59 g/mol
LogP2.16
Rot. Bonds2

About 1-cyclopropylethyl carbonochloridate

1-cyclopropylethyl carbonochloridate (PubChem CID 13295034) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is 1-cyclopropylethyl carbonochloridate.

Molecular Properties

Compound Name1-cyclopropylethyl carbonochloridate
PubChem CID13295034
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Name1-cyclopropylethyl carbonochloridate
SMILESCC(OC(=O)Cl)C1CC1
InChIInChI=1S/C6H9ClO2/c1-4(5-2-3-5)9-6(7)8/h4-5H,2-3H2,1H3
InChIKeyMOMPCGIMVKVCOJ-UHFFFAOYSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 52.16
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-cyclopropylethyl carbonochloridate?
The IUPAC name of 1-cyclopropylethyl carbonochloridate (CID 13295034) is 1-cyclopropylethyl carbonochloridate.
What is the SMILES notation for 1-cyclopropylethyl carbonochloridate?
The canonical SMILES for 1-cyclopropylethyl carbonochloridate is CC(OC(=O)Cl)C1CC1.
What is the InChIKey of 1-cyclopropylethyl carbonochloridate?
The InChIKey is MOMPCGIMVKVCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2/c1-4(5-2-3-5)9-6(7)8/h4-5H,2-3H2,1H3.
What are the key properties of 1-cyclopropylethyl carbonochloridate?
1-cyclopropylethyl carbonochloridate has a molecular weight of 148.59 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl carbonochloridate is sourced from PubChem (CID 13295034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).