CID 22558579

C6H12ClOSi — CID 22558579

IUPAC—
SMILESCC(C)(CCCCl)O[Si]
InChIInChI=1S/C6H12ClOSi/c1-6(2,8-9)4-3-5-7/h3-5H2,1-2H3
InChIKeyIGKWUNPZJHPSFQ-UHFFFAOYSA-N
MW163.70 g/mol
LogP1.88
Rot. Bonds4

About CID 22558579

CID 22558579 (PubChem CID 22558579) has the molecular formula C6H12ClOSi and a molecular weight of 163.70 g/mol.

Molecular Properties

Compound NameCID 22558579
PubChem CID22558579
Molecular FormulaC6H12ClOSi
Molecular Weight163.70 g/mol
Exact Mass163.03
IUPAC Name—
SMILESCC(C)(CCCCl)O[Si]
InChIInChI=1S/C6H12ClOSi/c1-6(2,8-9)4-3-5-7/h3-5H2,1-2H3
InChIKeyIGKWUNPZJHPSFQ-UHFFFAOYSA-N
XLogP1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.70
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-chloro-4,4-dimethylpentane
CID 524245
CID 22558577
CID 22558577
5-chloro-1-methoxy-2,2-dimethylpentane
CID 165443489
CID 140686763
CID 140686763
4-bromo-1-chloro-4-methylpentane
CID 11344661
CID 22558574
CID 22558574
5-chloro-N,2,2-trimethylpentan-1-amine
CID 106140604
2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate
CID 19745520
7-butoxy-1-chloro-7-methyloctane
CID 166130931
N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
CID 107319870
1-chloro-6-methyl-6-(3-methylbutoxy)heptane
CID 170630353
tert-butyl-(5-chloro-2-methylpentan-2-yl)diazene
CID 14315819

Frequently Asked Questions

What is the IUPAC name of CID 22558579?
The IUPAC name of CID 22558579 (CID 22558579) is not available.
What is the SMILES notation for CID 22558579?
The canonical SMILES for CID 22558579 is CC(C)(CCCCl)O[Si].
What is the InChIKey of CID 22558579?
The InChIKey is IGKWUNPZJHPSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClOSi/c1-6(2,8-9)4-3-5-7/h3-5H2,1-2H3.
What are the key properties of CID 22558579?
CID 22558579 has a molecular weight of 163.70 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22558579 is sourced from PubChem (CID 22558579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).