CID 102094063

C4H6ClO — CID 102094063

IUPAC—
SMILESO=[C]CCCCl
InChIInChI=1S/C4H6ClO/c5-3-1-2-4-6/h1-3H2
InChIKeyOWAVPHLGEJKODC-UHFFFAOYSA-N
MW105.54 g/mol
LogP1.12
Rot. Bonds3

About CID 102094063

CID 102094063 (PubChem CID 102094063) has the molecular formula C4H6ClO and a molecular weight of 105.54 g/mol.

Molecular Properties

Compound NameCID 102094063
PubChem CID102094063
Molecular FormulaC4H6ClO
Molecular Weight105.54 g/mol
Exact Mass105.01
IUPAC Name—
SMILESO=[C]CCCCl
InChIInChI=1S/C4H6ClO/c5-3-1-2-4-6/h1-3H2
InChIKeyOWAVPHLGEJKODC-UHFFFAOYSA-N
XLogP1.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.54
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102094063?
The IUPAC name of CID 102094063 (CID 102094063) is not available.
What is the SMILES notation for CID 102094063?
The canonical SMILES for CID 102094063 is O=[C]CCCCl.
What is the InChIKey of CID 102094063?
The InChIKey is OWAVPHLGEJKODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClO/c5-3-1-2-4-6/h1-3H2.
What are the key properties of CID 102094063?
CID 102094063 has a molecular weight of 105.54 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102094063 is sourced from PubChem (CID 102094063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).