(1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane

C9H22O2SSi — CID 175489121

IUPAC(1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane
SMILESCCOCCC(CCCOC)[SiH2]S
InChIInChI=1S/C9H22O2SSi/c1-3-11-8-6-9(13-12)5-4-7-10-2/h9,12H,3-8,13H2,1-2H3
InChIKeySCKZYPFJVGJCIS-UHFFFAOYSA-N
MW222.43 g/mol
LogP1.64
Rot. Bonds9

About (1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane

(1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane (PubChem CID 175489121) has the molecular formula C9H22O2SSi and a molecular weight of 222.43 g/mol. Its IUPAC name is (1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane.

Molecular Properties

Compound Name(1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane
PubChem CID175489121
Molecular FormulaC9H22O2SSi
Molecular Weight222.43 g/mol
Exact Mass222.11
IUPAC Name(1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane
SMILESCCOCCC(CCCOC)[SiH2]S
InChIInChI=1S/C9H22O2SSi/c1-3-11-8-6-9(13-12)5-4-7-10-2/h9,12H,3-8,13H2,1-2H3
InChIKeySCKZYPFJVGJCIS-UHFFFAOYSA-N
XLogP1.64
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane with MolForge

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

Launch Full Analysis

Related Compounds

4-ethoxy-1-methoxy-2-methylbutane
CID 102175642
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
1-ethoxy-5-methoxypentan-3-amine
CID 114997131
1-ethoxy-5-methoxypentan-2-ol
CID 79566643
bis(1-ethoxy-2-methoxyethane);hydrate
CID 88797439
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
7-ethoxy-1-methoxy-3-methylheptan-4-amine
CID 105185117
(2S)-5-methoxypentan-2-amine
CID 93315322
4-ethoxy-1-methoxybutan-2-amine
CID 115601761
1-(2-ethoxyethoxy)-2-methoxyethane;methane
CID 162070739
1,4-diethoxy-2-methylbutane
CID 59899860

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane?
The IUPAC name of (1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane (CID 175489121) is (1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane.
What is the SMILES notation for (1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane?
The canonical SMILES for (1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane is CCOCCC(CCCOC)[SiH2]S.
What is the InChIKey of (1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane?
The InChIKey is SCKZYPFJVGJCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O2SSi/c1-3-11-8-6-9(13-12)5-4-7-10-2/h9,12H,3-8,13H2,1-2H3.
What are the key properties of (1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane?
(1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane has a molecular weight of 222.43 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-6-methoxyhexan-3-yl)-sulfanylsilane is sourced from PubChem (CID 175489121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).