6-methoxy-4-silylhexane-1-thiol

C7H18OSSi — CID 175438758

IUPAC6-methoxy-4-silylhexane-1-thiol
SMILESCOCCC([SiH3])CCCS
InChIInChI=1S/C7H18OSSi/c1-8-5-4-7(10)3-2-6-9/h7,9H,2-6H2,1,10H3
InChIKeyIMHGZZXQLGNQSJ-UHFFFAOYSA-N
MW178.37 g/mol
LogP0.89
Rot. Bonds6

About 6-methoxy-4-silylhexane-1-thiol

6-methoxy-4-silylhexane-1-thiol (PubChem CID 175438758) has the molecular formula C7H18OSSi and a molecular weight of 178.37 g/mol. Its IUPAC name is 6-methoxy-4-silylhexane-1-thiol.

Molecular Properties

Compound Name6-methoxy-4-silylhexane-1-thiol
PubChem CID175438758
Molecular FormulaC7H18OSSi
Molecular Weight178.37 g/mol
Exact Mass178.08
IUPAC Name6-methoxy-4-silylhexane-1-thiol
SMILESCOCCC([SiH3])CCCS
InChIInChI=1S/C7H18OSSi/c1-8-5-4-7(10)3-2-6-9/h7,9H,2-6H2,1,10H3
InChIKeyIMHGZZXQLGNQSJ-UHFFFAOYSA-N
XLogP0.89
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

CID 173368229
CID 173368229
5,5,5-trimethoxy-4-silyloxypentane-1-thiol
CID 173313502
4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol
CID 82965257
4-methoxy-2-(sulfanylmethyl)butan-1-ol
CID 117236943
9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol
CID 103176254
1-methoxypentane-3-thiol
CID 21429489
ethane;1-methoxy-3-methylbutane
CID 144580604
5-[2-(3-methoxypropoxy)ethoxy]-3-methylpentane-1-thiol
CID 103176253
1,3-dimethoxy-N-methylpropan-1-amine
CID 174961293
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 86092592
4-fluoropentane-1-thiol
CID 87282782
butane-1,1,4-trithiol
CID 90930217

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-silylhexane-1-thiol?
The IUPAC name of 6-methoxy-4-silylhexane-1-thiol (CID 175438758) is 6-methoxy-4-silylhexane-1-thiol.
What is the SMILES notation for 6-methoxy-4-silylhexane-1-thiol?
The canonical SMILES for 6-methoxy-4-silylhexane-1-thiol is COCCC([SiH3])CCCS.
What is the InChIKey of 6-methoxy-4-silylhexane-1-thiol?
The InChIKey is IMHGZZXQLGNQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18OSSi/c1-8-5-4-7(10)3-2-6-9/h7,9H,2-6H2,1,10H3.
What are the key properties of 6-methoxy-4-silylhexane-1-thiol?
6-methoxy-4-silylhexane-1-thiol has a molecular weight of 178.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-silylhexane-1-thiol is sourced from PubChem (CID 175438758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).