(1-chloro-3-methylbutyl)-dimethoxysilane

C7H17ClO2Si — CID 123501518

IUPAC(1-chloro-3-methylbutyl)-dimethoxysilane
SMILESCO[SiH](OC)C(Cl)CC(C)C
InChIInChI=1S/C7H17ClO2Si/c1-6(2)5-7(8)11(9-3)10-4/h6-7,11H,5H2,1-4H3
InChIKeyPHRXAFLBAGMZSE-UHFFFAOYSA-N
MW196.75 g/mol
LogP1.69
Rot. Bonds5

About (1-chloro-3-methylbutyl)-dimethoxysilane

(1-chloro-3-methylbutyl)-dimethoxysilane (PubChem CID 123501518) has the molecular formula C7H17ClO2Si and a molecular weight of 196.75 g/mol. Its IUPAC name is (1-chloro-3-methylbutyl)-dimethoxysilane.

Molecular Properties

Compound Name(1-chloro-3-methylbutyl)-dimethoxysilane
PubChem CID123501518
Molecular FormulaC7H17ClO2Si
Molecular Weight196.75 g/mol
Exact Mass196.07
IUPAC Name(1-chloro-3-methylbutyl)-dimethoxysilane
SMILESCO[SiH](OC)C(Cl)CC(C)C
InChIInChI=1S/C7H17ClO2Si/c1-6(2)5-7(8)11(9-3)10-4/h6-7,11H,5H2,1-4H3
InChIKeyPHRXAFLBAGMZSE-UHFFFAOYSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.75
LogP ≤ 51.69
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

1,3-dichloropropyl(dimethoxy)silane
CID 174840470
4-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane
CID 18359494
2,4-dimethylpentane
CID 157050020
1-(1-dimethoxysilylbutyldisulfanyl)butyl-dimethoxysilane
CID 154233230
butan-2-yl(dimethoxy)silane;propane
CID 173302238
dimethoxy(tridecan-2-yl)silane
CID 174991319
2-methyl-4-(2-methylheptan-4-yloxy)heptane
CID 22758032
2,4-dimethylpentane;methane
CID 159476318
(4S)-2-methyl-4-propan-2-yloxypentane
CID 155647514
[6-dimethoxysilyl-4-(2-dimethoxysilylpropyl)-4-methylheptan-2-yl]-dimethoxysilane
CID 123257611
3-dimethoxysilylbutan-2-amine
CID 173222446
3-methylpentane;trimethoxysilane
CID 175171853

Frequently Asked Questions

What is the IUPAC name of (1-chloro-3-methylbutyl)-dimethoxysilane?
The IUPAC name of (1-chloro-3-methylbutyl)-dimethoxysilane (CID 123501518) is (1-chloro-3-methylbutyl)-dimethoxysilane.
What is the SMILES notation for (1-chloro-3-methylbutyl)-dimethoxysilane?
The canonical SMILES for (1-chloro-3-methylbutyl)-dimethoxysilane is CO[SiH](OC)C(Cl)CC(C)C.
What is the InChIKey of (1-chloro-3-methylbutyl)-dimethoxysilane?
The InChIKey is PHRXAFLBAGMZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17ClO2Si/c1-6(2)5-7(8)11(9-3)10-4/h6-7,11H,5H2,1-4H3.
What are the key properties of (1-chloro-3-methylbutyl)-dimethoxysilane?
(1-chloro-3-methylbutyl)-dimethoxysilane has a molecular weight of 196.75 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-3-methylbutyl)-dimethoxysilane is sourced from PubChem (CID 123501518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).