trimethyl(1-phenylsulfanylpentoxy)silane

C14H24OSSi — CID 12572062

IUPACtrimethyl(1-phenylsulfanylpentoxy)silane
SMILESCCCCC(O[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C14H24OSSi/c1-5-6-12-14(15-17(2,3)4)16-13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3
InChIKeyHAOLDSIVGSKFAX-UHFFFAOYSA-N
MW268.50 g/mol
LogP5.15
Rot. Bonds7

About trimethyl(1-phenylsulfanylpentoxy)silane

trimethyl(1-phenylsulfanylpentoxy)silane (PubChem CID 12572062) has the molecular formula C14H24OSSi and a molecular weight of 268.50 g/mol. Its IUPAC name is trimethyl(1-phenylsulfanylpentoxy)silane.

Molecular Properties

Compound Nametrimethyl(1-phenylsulfanylpentoxy)silane
PubChem CID12572062
Molecular FormulaC14H24OSSi
Molecular Weight268.50 g/mol
Exact Mass268.13
IUPAC Nametrimethyl(1-phenylsulfanylpentoxy)silane
SMILESCCCCC(O[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C14H24OSSi/c1-5-6-12-14(15-17(2,3)4)16-13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3
InChIKeyHAOLDSIVGSKFAX-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.50
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Silane, trimethyl((phenylthio)methyl)-
CID 140295
Tetrahydro-2-(phenylthio)-2H-pyran
CID 89408
[2-(4-Fluorophenylthiomethoxy)ethyl]trimethylsilane
CID 552758
[(2-Ethoxyethyl)sulfanyl]benzene
CID 271506
5-Phenylsulfanylpentan-1-ol
CID 346015
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Phenyl (E)-2-(trimethylsilyl)ethenyl sulfide
CID 11138322
Trimethyl[1-(phenylsulfanyl)prop-2-en-1-yl]silane
CID 12677743
1-(1-Butoxyethylsulfanyl)-4-fluorobenzene
CID 101898093
1-Butoxy-2-phenylmercaptoethane
CID 271491
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088

Frequently Asked Questions

What is the IUPAC name of trimethyl(1-phenylsulfanylpentoxy)silane?
The IUPAC name of trimethyl(1-phenylsulfanylpentoxy)silane (CID 12572062) is trimethyl(1-phenylsulfanylpentoxy)silane.
What is the SMILES notation for trimethyl(1-phenylsulfanylpentoxy)silane?
The canonical SMILES for trimethyl(1-phenylsulfanylpentoxy)silane is CCCCC(O[Si](C)(C)C)Sc1ccccc1.
What is the InChIKey of trimethyl(1-phenylsulfanylpentoxy)silane?
The InChIKey is HAOLDSIVGSKFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSSi/c1-5-6-12-14(15-17(2,3)4)16-13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3.
What are the key properties of trimethyl(1-phenylsulfanylpentoxy)silane?
trimethyl(1-phenylsulfanylpentoxy)silane has a molecular weight of 268.50 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-phenylsulfanylpentoxy)silane is sourced from PubChem (CID 12572062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).