cyclopentyl carbonochloridate

C6H9ClO2 — CID 2735892

IUPACcyclopentyl carbonochloridate
SMILESO=C(Cl)OC1CCCC1
InChIInChI=1S/C6H9ClO2/c7-6(8)9-5-3-1-2-4-5/h5H,1-4H2
InChIKeyZFQCRLNKHHXELH-UHFFFAOYSA-N
MW148.59 g/mol
LogP2.30
Rot. Bonds1

About cyclopentyl carbonochloridate

cyclopentyl carbonochloridate (PubChem CID 2735892) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is cyclopentyl carbonochloridate.

Molecular Properties

Compound Namecyclopentyl carbonochloridate
PubChem CID2735892
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Namecyclopentyl carbonochloridate
SMILESO=C(Cl)OC1CCCC1
InChIInChI=1S/C6H9ClO2/c7-6(8)9-5-3-1-2-4-5/h5H,1-4H2
InChIKeyZFQCRLNKHHXELH-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 52.30
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 cyclopentyl carbonochloridate?
The IUPAC name of cyclopentyl carbonochloridate (CID 2735892) is cyclopentyl carbonochloridate.
What is the SMILES notation for cyclopentyl carbonochloridate?
The canonical SMILES for cyclopentyl carbonochloridate is O=C(Cl)OC1CCCC1.
What is the InChIKey of cyclopentyl carbonochloridate?
The InChIKey is ZFQCRLNKHHXELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2/c7-6(8)9-5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of cyclopentyl carbonochloridate?
cyclopentyl carbonochloridate has a molecular weight of 148.59 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl carbonochloridate is sourced from PubChem (CID 2735892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).