3-trimethoxysilylheptane-3-thiol

C10H24O3SSi — CID 175119323

IUPAC3-trimethoxysilylheptane-3-thiol
SMILESCCCCC(S)(CC)[Si](OC)(OC)OC
InChIInChI=1S/C10H24O3SSi/c1-6-8-9-10(14,7-2)15(11-3,12-4)13-5/h14H,6-9H2,1-5H3
InChIKeyLPXCNMMGNWDASD-UHFFFAOYSA-N
MW252.45 g/mol
LogP2.67
Rot. Bonds8

About 3-trimethoxysilylheptane-3-thiol

3-trimethoxysilylheptane-3-thiol (PubChem CID 175119323) has the molecular formula C10H24O3SSi and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-trimethoxysilylheptane-3-thiol.

Molecular Properties

Compound Name3-trimethoxysilylheptane-3-thiol
PubChem CID175119323
Molecular FormulaC10H24O3SSi
Molecular Weight252.45 g/mol
Exact Mass252.12
IUPAC Name3-trimethoxysilylheptane-3-thiol
SMILESCCCCC(S)(CC)[Si](OC)(OC)OC
InChIInChI=1S/C10H24O3SSi/c1-6-8-9-10(14,7-2)15(11-3,12-4)13-5/h14H,6-9H2,1-5H3
InChIKeyLPXCNMMGNWDASD-UHFFFAOYSA-N
XLogP2.67
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5,7-diethyl-5,7-bis(trimethoxysilyl)undecan-6-one
CID 87595221
1-trimethoxysilylpropane-1,1-dithiol
CID 19012739
trimethoxy(9-trimethoxysilylheptadecan-9-yl)silane
CID 141102210
1-fluoro-1-trimethoxysilylpropane-1-thiol
CID 88708282
4-trimethoxysilylhexane-1,4-diamine
CID 57134999
9,11-dimethyl-9,11-bis(trimethoxysilyl)nonadecan-10-one
CID 87595580
1-chlorohexane-1,1,2,2-tetrathiol
CID 90184889
4-trimethoxysilylhenicosan-4-amine;hydrochloride
CID 174053760
(3-butyl-3-fluoroheptyl)-trimethoxysilane
CID 58825593
butyl-dimethoxy-(2-methylpentan-2-yl)silane
CID 23170003
2-methyl-2-sulfanylhexanal
CID 88843028
3-methoxyheptan-3-amine
CID 87397184

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylheptane-3-thiol?
The IUPAC name of 3-trimethoxysilylheptane-3-thiol (CID 175119323) is 3-trimethoxysilylheptane-3-thiol.
What is the SMILES notation for 3-trimethoxysilylheptane-3-thiol?
The canonical SMILES for 3-trimethoxysilylheptane-3-thiol is CCCCC(S)(CC)[Si](OC)(OC)OC.
What is the InChIKey of 3-trimethoxysilylheptane-3-thiol?
The InChIKey is LPXCNMMGNWDASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O3SSi/c1-6-8-9-10(14,7-2)15(11-3,12-4)13-5/h14H,6-9H2,1-5H3.
What are the key properties of 3-trimethoxysilylheptane-3-thiol?
3-trimethoxysilylheptane-3-thiol has a molecular weight of 252.45 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylheptane-3-thiol is sourced from PubChem (CID 175119323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).