[3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane

C11H22Cl2O2SSi — CID 106324295

IUPAC[3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane
SMILESC[Si](C)(C)CC(CCl)(CCl)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22Cl2O2SSi/c1-17(2,3)9-11(7-12,8-13)10-4-5-16(14,15)6-10/h10H,4-9H2,1-3H3
InChIKeyZANKKYQPHXCDIF-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.22
Rot. Bonds5

About [3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane

[3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane (PubChem CID 106324295) has the molecular formula C11H22Cl2O2SSi and a molecular weight of 317.35 g/mol. Its IUPAC name is [3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane.

Molecular Properties

Compound Name[3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane
PubChem CID106324295
Molecular FormulaC11H22Cl2O2SSi
Molecular Weight317.35 g/mol
Exact Mass316.05
IUPAC Name[3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane
SMILESC[Si](C)(C)CC(CCl)(CCl)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22Cl2O2SSi/c1-17(2,3)9-11(7-12,8-13)10-4-5-16(14,15)6-10/h10H,4-9H2,1-3H3
InChIKeyZANKKYQPHXCDIF-UHFFFAOYSA-N
XLogP3.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.22
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

3-[1-chloro-2-(chloromethyl)-3-methoxypropan-2-yl]thiolane 1,1-dioxide
CID 103985286
3-[1-chloro-2-(chloromethyl)-4-ethylsulfonylbutan-2-yl]thiolane 1,1-dioxide
CID 79448392
3-[1-chloro-2-(chloromethyl)hexan-2-yl]thiolane 1,1-dioxide
CID 79447752
3-[1-chloro-2-(chloromethyl)-6-methoxyhexan-2-yl]thiolane 1,1-dioxide
CID 113437254
3-[1-chloro-2-(chloromethyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]thiolane 1,1-dioxide
CID 107058447
3-[1-chloro-2-(chloromethyl)-3-(furan-2-yl)propan-2-yl]thiolane 1,1-dioxide
CID 79448119
3-[1-chloro-2-(chloromethyl)-3-(furan-3-yl)propan-2-yl]thiolane 1,1-dioxide
CID 83183035
3-[1-chloro-2-(chloromethyl)-3-thiophen-2-ylpropan-2-yl]thiolane 1,1-dioxide
CID 79447281
3-[1-chloro-2-(chloromethyl)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-yl]thiolane 1,1-dioxide
CID 79447848
3-[1-chloro-2-(chloromethyl)-3-(2-chloro-4-methylphenyl)propan-2-yl]thiolane 1,1-dioxide
CID 106870767
2-(1,1-dioxothiolan-3-yl)-3-ethoxy-3-oxo-2-(trimethylsilylmethyl)propanoic acid
CID 106324344
3-[1-bromo-2-(bromomethyl)-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]thiolane 1,1-dioxide
CID 112592545

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane?
The IUPAC name of [3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane (CID 106324295) is [3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane.
What is the SMILES notation for [3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane?
The canonical SMILES for [3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane is C[Si](C)(C)CC(CCl)(CCl)C1CCS(=O)(=O)C1.
What is the InChIKey of [3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane?
The InChIKey is ZANKKYQPHXCDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22Cl2O2SSi/c1-17(2,3)9-11(7-12,8-13)10-4-5-16(14,15)6-10/h10H,4-9H2,1-3H3.
What are the key properties of [3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane?
[3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane has a molecular weight of 317.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(chloromethyl)-2-(1,1-dioxothiolan-3-yl)propyl]-trimethylsilane is sourced from PubChem (CID 106324295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).