CID 19779978

C6H14ClO2Si — CID 19779978

IUPAC—
SMILESCCC(Cl)C[Si](OC)OC
InChIInChI=1S/C6H14ClO2Si/c1-4-6(7)5-10(8-2)9-3/h6H,4-5H2,1-3H3
InChIKeyCSDNQUUXVPORLC-UHFFFAOYSA-N
MW181.71 g/mol
LogP1.78
Rot. Bonds5

About CID 19779978

CID 19779978 (PubChem CID 19779978) has the molecular formula C6H14ClO2Si and a molecular weight of 181.71 g/mol.

Molecular Properties

Compound NameCID 19779978
PubChem CID19779978
Molecular FormulaC6H14ClO2Si
Molecular Weight181.71 g/mol
Exact Mass181.05
IUPAC Name—
SMILESCCC(Cl)C[Si](OC)OC
InChIInChI=1S/C6H14ClO2Si/c1-4-6(7)5-10(8-2)9-3/h6H,4-5H2,1-3H3
InChIKeyCSDNQUUXVPORLC-UHFFFAOYSA-N
XLogP1.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.71
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 19779978?
The IUPAC name of CID 19779978 (CID 19779978) is not available.
What is the SMILES notation for CID 19779978?
The canonical SMILES for CID 19779978 is CCC(Cl)C[Si](OC)OC.
What is the InChIKey of CID 19779978?
The InChIKey is CSDNQUUXVPORLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClO2Si/c1-4-6(7)5-10(8-2)9-3/h6H,4-5H2,1-3H3.
What are the key properties of CID 19779978?
CID 19779978 has a molecular weight of 181.71 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19779978 is sourced from PubChem (CID 19779978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).