butyl-chloro-phenyl-propoxysilane

C13H21ClOSi — CID 140744872

IUPACbutyl-chloro-phenyl-propoxysilane
SMILESCCCC[Si](Cl)(OCCC)c1ccccc1
InChIInChI=1S/C13H21ClOSi/c1-3-5-12-16(14,15-11-4-2)13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3
InChIKeySOSSGMBUPKLPDP-UHFFFAOYSA-N
MW256.85 g/mol
LogP3.80
Rot. Bonds7

About butyl-chloro-phenyl-propoxysilane

butyl-chloro-phenyl-propoxysilane (PubChem CID 140744872) has the molecular formula C13H21ClOSi and a molecular weight of 256.85 g/mol. Its IUPAC name is butyl-chloro-phenyl-propoxysilane.

Molecular Properties

Compound Namebutyl-chloro-phenyl-propoxysilane
PubChem CID140744872
Molecular FormulaC13H21ClOSi
Molecular Weight256.85 g/mol
Exact Mass256.11
IUPAC Namebutyl-chloro-phenyl-propoxysilane
SMILESCCCC[Si](Cl)(OCCC)c1ccccc1
InChIInChI=1S/C13H21ClOSi/c1-3-5-12-16(14,15-11-4-2)13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3
InChIKeySOSSGMBUPKLPDP-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.85
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[diphenyl(propoxy)silyl]-diphenyl-propoxysilane
CID 4983339
butyl(trichloro)silane;dichloro(diphenyl)silane
CID 67532832
dichloro-heptyl-phenylsilane
CID 101161411
butyl-dimethoxy-phenylsilane
CID 66773516
2-[phenyl(dipropoxy)silyl]ethanamine
CID 141216090
methoxy-diphenyl-propoxysilane
CID 22955915
N-(butyl-chloro-phenylsilyl)-N-ethylethanamine
CID 67277211
butyl-chloro-ethenyl-phenylsilane
CID 67342810
chloro-phenyl-dipropylsilane
CID 57124380
butyl-dihydroxy-phenylsilane
CID 23312649
chloro-methyl-octyl-phenylsilane
CID 66989770
chloro-hexyl-iodo-phenylsilane
CID 154486835

Frequently Asked Questions

What is the IUPAC name of butyl-chloro-phenyl-propoxysilane?
The IUPAC name of butyl-chloro-phenyl-propoxysilane (CID 140744872) is butyl-chloro-phenyl-propoxysilane.
What is the SMILES notation for butyl-chloro-phenyl-propoxysilane?
The canonical SMILES for butyl-chloro-phenyl-propoxysilane is CCCC[Si](Cl)(OCCC)c1ccccc1.
What is the InChIKey of butyl-chloro-phenyl-propoxysilane?
The InChIKey is SOSSGMBUPKLPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClOSi/c1-3-5-12-16(14,15-11-4-2)13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3.
What are the key properties of butyl-chloro-phenyl-propoxysilane?
butyl-chloro-phenyl-propoxysilane has a molecular weight of 256.85 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-chloro-phenyl-propoxysilane is sourced from PubChem (CID 140744872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).