(3-chloro-1,1-diethoxypropyl)-trimethylsilane

C10H23ClO2Si — CID 89465147

IUPAC(3-chloro-1,1-diethoxypropyl)-trimethylsilane
SMILESCCOC(CCCl)(OCC)[Si](C)(C)C
InChIInChI=1S/C10H23ClO2Si/c1-6-12-10(8-9-11,13-7-2)14(3,4)5/h6-9H2,1-5H3
InChIKeyVVYGGZVVZRYJCI-UHFFFAOYSA-N
MW238.83 g/mol
LogP3.26
Rot. Bonds7

About (3-chloro-1,1-diethoxypropyl)-trimethylsilane

(3-chloro-1,1-diethoxypropyl)-trimethylsilane (PubChem CID 89465147) has the molecular formula C10H23ClO2Si and a molecular weight of 238.83 g/mol. Its IUPAC name is (3-chloro-1,1-diethoxypropyl)-trimethylsilane.

Molecular Properties

Compound Name(3-chloro-1,1-diethoxypropyl)-trimethylsilane
PubChem CID89465147
Molecular FormulaC10H23ClO2Si
Molecular Weight238.83 g/mol
Exact Mass238.12
IUPAC Name(3-chloro-1,1-diethoxypropyl)-trimethylsilane
SMILESCCOC(CCCl)(OCC)[Si](C)(C)C
InChIInChI=1S/C10H23ClO2Si/c1-6-12-10(8-9-11,13-7-2)14(3,4)5/h6-9H2,1-5H3
InChIKeyVVYGGZVVZRYJCI-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.83
LogP ≤ 53.26
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-1,1-diethoxypropyl)-trimethylsilane?
The IUPAC name of (3-chloro-1,1-diethoxypropyl)-trimethylsilane (CID 89465147) is (3-chloro-1,1-diethoxypropyl)-trimethylsilane.
What is the SMILES notation for (3-chloro-1,1-diethoxypropyl)-trimethylsilane?
The canonical SMILES for (3-chloro-1,1-diethoxypropyl)-trimethylsilane is CCOC(CCCl)(OCC)[Si](C)(C)C.
What is the InChIKey of (3-chloro-1,1-diethoxypropyl)-trimethylsilane?
The InChIKey is VVYGGZVVZRYJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23ClO2Si/c1-6-12-10(8-9-11,13-7-2)14(3,4)5/h6-9H2,1-5H3.
What are the key properties of (3-chloro-1,1-diethoxypropyl)-trimethylsilane?
(3-chloro-1,1-diethoxypropyl)-trimethylsilane has a molecular weight of 238.83 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1,1-diethoxypropyl)-trimethylsilane is sourced from PubChem (CID 89465147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).