(4-chlorophenyl)-methyl-dipropoxysilane

C13H21ClO2Si — CID 151479399

IUPAC(4-chlorophenyl)-methyl-dipropoxysilane
SMILESCCCO[Si](C)(OCCC)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClO2Si/c1-4-10-15-17(3,16-11-5-2)13-8-6-12(14)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyPMDLQRHWDMVJKB-UHFFFAOYSA-N
MW272.85 g/mol
LogP3.47
Rot. Bonds7

About (4-chlorophenyl)-methyl-dipropoxysilane

(4-chlorophenyl)-methyl-dipropoxysilane (PubChem CID 151479399) has the molecular formula C13H21ClO2Si and a molecular weight of 272.85 g/mol. Its IUPAC name is (4-chlorophenyl)-methyl-dipropoxysilane.

Molecular Properties

Compound Name(4-chlorophenyl)-methyl-dipropoxysilane
PubChem CID151479399
Molecular FormulaC13H21ClO2Si
Molecular Weight272.85 g/mol
Exact Mass272.10
IUPAC Name(4-chlorophenyl)-methyl-dipropoxysilane
SMILESCCCO[Si](C)(OCCC)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClO2Si/c1-4-10-15-17(3,16-11-5-2)13-8-6-12(14)7-9-13/h6-9H,4-5,10-11H2,1-3H3
InChIKeyPMDLQRHWDMVJKB-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.85
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-dipropoxyphosphorylbenzene
CID 86198706
butoxy-(4-chlorophenoxy)-diethylsilane
CID 91733158
(3,4-difluorophenyl)-diethoxy-methylsilane
CID 90172653
(4-chlorophenyl)-hydroxy-dipropylsilane
CID 142625942
1-chloro-4-(propylperoxymethyl)benzene
CID 139699010
[diphenyl(propoxy)silyl]-diphenyl-propoxysilane
CID 4983339
2-chloro-4-(4-chlorophenyl)-5-propoxy-1,3-thiazole
CID 174418105
(4-chlorophenyl)methoxy-trimethylsilane
CID 580476
bis(4-chlorophenoxy)-diethylsilane
CID 91742030
2-[phenyl(dipropoxy)silyl]ethanamine
CID 141216090
2,4-dichloro-1-(propoxymethyl)benzene
CID 527851
methyl(tripropoxy)silane;hydrate
CID 172826593

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-methyl-dipropoxysilane?
The IUPAC name of (4-chlorophenyl)-methyl-dipropoxysilane (CID 151479399) is (4-chlorophenyl)-methyl-dipropoxysilane.
What is the SMILES notation for (4-chlorophenyl)-methyl-dipropoxysilane?
The canonical SMILES for (4-chlorophenyl)-methyl-dipropoxysilane is CCCO[Si](C)(OCCC)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-methyl-dipropoxysilane?
The InChIKey is PMDLQRHWDMVJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClO2Si/c1-4-10-15-17(3,16-11-5-2)13-8-6-12(14)7-9-13/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of (4-chlorophenyl)-methyl-dipropoxysilane?
(4-chlorophenyl)-methyl-dipropoxysilane has a molecular weight of 272.85 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-methyl-dipropoxysilane is sourced from PubChem (CID 151479399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).