4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol

C10H24OS3Si — CID 173106082

IUPAC4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol
SMILESCCC(S)C(O[SiH3])(C(S)CC)C(S)CC
InChIInChI=1S/C10H24OS3Si/c1-4-7(12)10(11-15,8(13)5-2)9(14)6-3/h7-9,12-14H,4-6H2,1-3,15H3
InChIKeyQAOWNFVTYAMNMT-UHFFFAOYSA-N
MW284.59 g/mol
LogP2.15
Rot. Bonds7

About 4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol

4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol (PubChem CID 173106082) has the molecular formula C10H24OS3Si and a molecular weight of 284.59 g/mol. Its IUPAC name is 4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol.

Molecular Properties

Compound Name4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol
PubChem CID173106082
Molecular FormulaC10H24OS3Si
Molecular Weight284.59 g/mol
Exact Mass284.08
IUPAC Name4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol
SMILESCCC(S)C(O[SiH3])(C(S)CC)C(S)CC
InChIInChI=1S/C10H24OS3Si/c1-4-7(12)10(11-15,8(13)5-2)9(14)6-3/h7-9,12-14H,4-6H2,1-3,15H3
InChIKeyQAOWNFVTYAMNMT-UHFFFAOYSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.59
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol?
The IUPAC name of 4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol (CID 173106082) is 4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol.
What is the SMILES notation for 4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol?
The canonical SMILES for 4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol is CCC(S)C(O[SiH3])(C(S)CC)C(S)CC.
What is the InChIKey of 4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol?
The InChIKey is QAOWNFVTYAMNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24OS3Si/c1-4-7(12)10(11-15,8(13)5-2)9(14)6-3/h7-9,12-14H,4-6H2,1-3,15H3.
What are the key properties of 4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol?
4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol has a molecular weight of 284.59 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-silyloxy-4-(1-sulfanylpropyl)heptane-3,5-dithiol is sourced from PubChem (CID 173106082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).