6-sulfanyl-3-tripropoxysilylhexan-1-ol

C15H34O4SSi — CID 123809928

IUPAC6-sulfanyl-3-tripropoxysilylhexan-1-ol
SMILESCCCO[Si](OCCC)(OCCC)C(CCO)CCCS
InChIInChI=1S/C15H34O4SSi/c1-4-11-17-21(18-12-5-2,19-13-6-3)15(9-10-16)8-7-14-20/h15-16,20H,4-14H2,1-3H3
InChIKeyUDNRSHIXDSQNSZ-UHFFFAOYSA-N
MW338.59 g/mol
LogP3.67
Rot. Bonds15

About 6-sulfanyl-3-tripropoxysilylhexan-1-ol

6-sulfanyl-3-tripropoxysilylhexan-1-ol (PubChem CID 123809928) has the molecular formula C15H34O4SSi and a molecular weight of 338.59 g/mol. Its IUPAC name is 6-sulfanyl-3-tripropoxysilylhexan-1-ol.

Molecular Properties

Compound Name6-sulfanyl-3-tripropoxysilylhexan-1-ol
PubChem CID123809928
Molecular FormulaC15H34O4SSi
Molecular Weight338.59 g/mol
Exact Mass338.19
IUPAC Name6-sulfanyl-3-tripropoxysilylhexan-1-ol
SMILESCCCO[Si](OCCC)(OCCC)C(CCO)CCCS
InChIInChI=1S/C15H34O4SSi/c1-4-11-17-21(18-12-5-2,19-13-6-3)15(9-10-16)8-7-14-20/h15-16,20H,4-14H2,1-3H3
InChIKeyUDNRSHIXDSQNSZ-UHFFFAOYSA-N
XLogP3.67
TPSA47.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[dimethoxy(methyl)silyl]-5-sulfanylpentan-1-ol
CID 175127070
3-methyl-6-sulfanylhexan-1-ol
CID 87063689
ethyl 5-sulfanyl-2-triethoxysilylpentanoate
CID 174845024
3-triethoxysilyloctoxymethanedithioic acid
CID 171618553
3-tripropoxysilylpropan-1-ol
CID 19080799
4-tripropoxysilylbutan-1-ol
CID 18780457
lithium;hydride;trihydroxy(propoxy)silane
CID 173147609
2-triethoxysilylhexan-1-amine
CID 87125413
1-bromohexan-2-yl(triethoxy)silane
CID 142614028
4-ethyldecane-1-thiol
CID 87200065
3-propoxyhexan-1-ol
CID 139839964
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185

Frequently Asked Questions

What is the IUPAC name of 6-sulfanyl-3-tripropoxysilylhexan-1-ol?
The IUPAC name of 6-sulfanyl-3-tripropoxysilylhexan-1-ol (CID 123809928) is 6-sulfanyl-3-tripropoxysilylhexan-1-ol.
What is the SMILES notation for 6-sulfanyl-3-tripropoxysilylhexan-1-ol?
The canonical SMILES for 6-sulfanyl-3-tripropoxysilylhexan-1-ol is CCCO[Si](OCCC)(OCCC)C(CCO)CCCS.
What is the InChIKey of 6-sulfanyl-3-tripropoxysilylhexan-1-ol?
The InChIKey is UDNRSHIXDSQNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O4SSi/c1-4-11-17-21(18-12-5-2,19-13-6-3)15(9-10-16)8-7-14-20/h15-16,20H,4-14H2,1-3H3.
What are the key properties of 6-sulfanyl-3-tripropoxysilylhexan-1-ol?
6-sulfanyl-3-tripropoxysilylhexan-1-ol has a molecular weight of 338.59 g/mol, XLogP of 3.67, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfanyl-3-tripropoxysilylhexan-1-ol is sourced from PubChem (CID 123809928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).