1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol

C16H28O2SSi — CID 154190477

IUPAC1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol
SMILESCCO[Si](C)(CCCCCc1ccccc1)OC(C)S
InChIInChI=1S/C16H28O2SSi/c1-4-17-20(3,18-15(2)19)14-10-6-9-13-16-11-7-5-8-12-16/h5,7-8,11-12,15,19H,4,6,9-10,13-14H2,1-3H3
InChIKeyFMKNBZKSLXZHGX-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.80
Rot. Bonds10

About 1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol

1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol (PubChem CID 154190477) has the molecular formula C16H28O2SSi and a molecular weight of 312.55 g/mol. Its IUPAC name is 1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol.

Molecular Properties

Compound Name1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol
PubChem CID154190477
Molecular FormulaC16H28O2SSi
Molecular Weight312.55 g/mol
Exact Mass312.16
IUPAC Name1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol
SMILESCCO[Si](C)(CCCCCc1ccccc1)OC(C)S
InChIInChI=1S/C16H28O2SSi/c1-4-17-20(3,18-15(2)19)14-10-6-9-13-16-11-7-5-8-12-16/h5,7-8,11-12,15,19H,4,6,9-10,13-14H2,1-3H3
InChIKeyFMKNBZKSLXZHGX-UHFFFAOYSA-N
XLogP4.80
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.80
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane
CID 90171092
diethoxy-methyl-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90172096
dihydroxy-methyl-(6-phenylhexyl)silane
CID 11586756
trimethoxy(12-phenyldodecyl)silane
CID 54325157
3-phenyl-1-triethoxysilylpropane-1-thiol
CID 175065982
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
ethoxy-methyl-octyl-propan-2-yloxysilane
CID 175038920
6-ethoxyhexylbenzene
CID 54300935

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol?
The IUPAC name of 1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol (CID 154190477) is 1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol.
What is the SMILES notation for 1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol?
The canonical SMILES for 1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol is CCO[Si](C)(CCCCCc1ccccc1)OC(C)S.
What is the InChIKey of 1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol?
The InChIKey is FMKNBZKSLXZHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2SSi/c1-4-17-20(3,18-15(2)19)14-10-6-9-13-16-11-7-5-8-12-16/h5,7-8,11-12,15,19H,4,6,9-10,13-14H2,1-3H3.
What are the key properties of 1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol?
1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol has a molecular weight of 312.55 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol is sourced from PubChem (CID 154190477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).