(3-chloro-2-methylpropyl)-(diethoxymethoxy)silane

C9H21ClO3Si — CID 123272324

IUPAC(3-chloro-2-methylpropyl)-(diethoxymethoxy)silane
SMILESCCOC(OCC)O[SiH2]CC(C)CCl
InChIInChI=1S/C9H21ClO3Si/c1-4-11-9(12-5-2)13-14-7-8(3)6-10/h8-9H,4-7,14H2,1-3H3
InChIKeyJLKSCYZNGOHCJA-UHFFFAOYSA-N
MW240.80 g/mol
LogP1.74
Rot. Bonds9

About (3-chloro-2-methylpropyl)-(diethoxymethoxy)silane

(3-chloro-2-methylpropyl)-(diethoxymethoxy)silane (PubChem CID 123272324) has the molecular formula C9H21ClO3Si and a molecular weight of 240.80 g/mol. Its IUPAC name is (3-chloro-2-methylpropyl)-(diethoxymethoxy)silane.

Molecular Properties

Compound Name(3-chloro-2-methylpropyl)-(diethoxymethoxy)silane
PubChem CID123272324
Molecular FormulaC9H21ClO3Si
Molecular Weight240.80 g/mol
Exact Mass240.09
IUPAC Name(3-chloro-2-methylpropyl)-(diethoxymethoxy)silane
SMILESCCOC(OCC)O[SiH2]CC(C)CCl
InChIInChI=1S/C9H21ClO3Si/c1-4-11-9(12-5-2)13-14-7-8(3)6-10/h8-9H,4-7,14H2,1-3H3
InChIKeyJLKSCYZNGOHCJA-UHFFFAOYSA-N
XLogP1.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.80
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-2-methylpropyl)-(diethoxymethoxy)silane?
The IUPAC name of (3-chloro-2-methylpropyl)-(diethoxymethoxy)silane (CID 123272324) is (3-chloro-2-methylpropyl)-(diethoxymethoxy)silane.
What is the SMILES notation for (3-chloro-2-methylpropyl)-(diethoxymethoxy)silane?
The canonical SMILES for (3-chloro-2-methylpropyl)-(diethoxymethoxy)silane is CCOC(OCC)O[SiH2]CC(C)CCl.
What is the InChIKey of (3-chloro-2-methylpropyl)-(diethoxymethoxy)silane?
The InChIKey is JLKSCYZNGOHCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClO3Si/c1-4-11-9(12-5-2)13-14-7-8(3)6-10/h8-9H,4-7,14H2,1-3H3.
What are the key properties of (3-chloro-2-methylpropyl)-(diethoxymethoxy)silane?
(3-chloro-2-methylpropyl)-(diethoxymethoxy)silane has a molecular weight of 240.80 g/mol, XLogP of 1.74, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylpropyl)-(diethoxymethoxy)silane is sourced from PubChem (CID 123272324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).