CID 22717337

C9H20ClO2Si — CID 22717337

IUPAC—
SMILESCCO[Si](OCC)C(Cl)CC(C)C
InChIInChI=1S/C9H20ClO2Si/c1-5-11-13(12-6-2)9(10)7-8(3)4/h8-9H,5-7H2,1-4H3
InChIKeyJJPRKZGEXWSQHO-UHFFFAOYSA-N
MW223.80 g/mol
LogP2.74
Rot. Bonds7

About CID 22717337

CID 22717337 (PubChem CID 22717337) has the molecular formula C9H20ClO2Si and a molecular weight of 223.80 g/mol.

Molecular Properties

Compound NameCID 22717337
PubChem CID22717337
Molecular FormulaC9H20ClO2Si
Molecular Weight223.80 g/mol
Exact Mass223.09
IUPAC Name—
SMILESCCO[Si](OCC)C(Cl)CC(C)C
InChIInChI=1S/C9H20ClO2Si/c1-5-11-13(12-6-2)9(10)7-8(3)4/h8-9H,5-7H2,1-4H3
InChIKeyJJPRKZGEXWSQHO-UHFFFAOYSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.80
LogP ≤ 52.74
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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Related Compounds

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alumane;2,4,5-trimethylheptane
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(4S)-2,4-dimethylhexane
CID 22810193
2,4-dimethylpentane
CID 157050020
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
CID 176550814
CID 176550814
4-(ethoxymethyl)-2-methylhexane
CID 157265485
CID 136913426
CID 136913426

Frequently Asked Questions

What is the IUPAC name of CID 22717337?
The IUPAC name of CID 22717337 (CID 22717337) is not available.
What is the SMILES notation for CID 22717337?
The canonical SMILES for CID 22717337 is CCO[Si](OCC)C(Cl)CC(C)C.
What is the InChIKey of CID 22717337?
The InChIKey is JJPRKZGEXWSQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClO2Si/c1-5-11-13(12-6-2)9(10)7-8(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of CID 22717337?
CID 22717337 has a molecular weight of 223.80 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22717337 is sourced from PubChem (CID 22717337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).