methanethioic S-acid;octyl-tri(propan-2-yloxy)silane

C18H40O4SSi — CID 175341627

IUPACmethanethioic S-acid;octyl-tri(propan-2-yloxy)silane
SMILESCCCCCCCC[Si](OC(C)C)(OC(C)C)OC(C)C.O=CS
InChIInChI=1S/C17H38O3Si.CH2OS/c1-8-9-10-11-12-13-14-21(18-15(2)3,19-16(4)5)20-17(6)7;2-1-3/h15-17H,8-14H2,1-7H3;1H,(H,2,3)
InChIKeyYVIMWSJFQZLTPA-UHFFFAOYSA-N
MW380.67 g/mol
LogP5.67
Rot. Bonds13

About methanethioic S-acid;octyl-tri(propan-2-yloxy)silane

methanethioic S-acid;octyl-tri(propan-2-yloxy)silane (PubChem CID 175341627) has the molecular formula C18H40O4SSi and a molecular weight of 380.67 g/mol. Its IUPAC name is methanethioic S-acid;octyl-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Namemethanethioic S-acid;octyl-tri(propan-2-yloxy)silane
PubChem CID175341627
Molecular FormulaC18H40O4SSi
Molecular Weight380.67 g/mol
Exact Mass380.24
IUPAC Namemethanethioic S-acid;octyl-tri(propan-2-yloxy)silane
SMILESCCCCCCCC[Si](OC(C)C)(OC(C)C)OC(C)C.O=CS
InChIInChI=1S/C17H38O3Si.CH2OS/c1-8-9-10-11-12-13-14-21(18-15(2)3,19-16(4)5)20-17(6)7;2-1-3/h15-17H,8-14H2,1-7H3;1H,(H,2,3)
InChIKeyYVIMWSJFQZLTPA-UHFFFAOYSA-N
XLogP5.67
TPSA44.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.67
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

decyl(trimethoxy)silane;methanethioic S-acid
CID 175033379
hexadecyl-dimethoxy-propan-2-yloxysilane
CID 154147118
tri(propan-2-yloxy)-[4-tri(propan-2-yloxy)silylbutyl]silane
CID 87144652
8-tri(propan-2-yloxy)silyloctane-1-thiol
CID 151398463
triheptyl(propan-2-yloxy)silane
CID 178181529
butyl(triethoxy)silane;methanethioic S-acid
CID 175031462
decyl-ethyl-di(propan-2-yloxy)silane
CID 158736144
ethoxy-methyl-octyl-propan-2-yloxysilane
CID 175038920
dodecyl(trimethoxy)silane;octane
CID 174570785
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206

Frequently Asked Questions

What is the IUPAC name of methanethioic S-acid;octyl-tri(propan-2-yloxy)silane?
The IUPAC name of methanethioic S-acid;octyl-tri(propan-2-yloxy)silane (CID 175341627) is methanethioic S-acid;octyl-tri(propan-2-yloxy)silane.
What is the SMILES notation for methanethioic S-acid;octyl-tri(propan-2-yloxy)silane?
The canonical SMILES for methanethioic S-acid;octyl-tri(propan-2-yloxy)silane is CCCCCCCC[Si](OC(C)C)(OC(C)C)OC(C)C.O=CS.
What is the InChIKey of methanethioic S-acid;octyl-tri(propan-2-yloxy)silane?
The InChIKey is YVIMWSJFQZLTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si.CH2OS/c1-8-9-10-11-12-13-14-21(18-15(2)3,19-16(4)5)20-17(6)7;2-1-3/h15-17H,8-14H2,1-7H3;1H,(H,2,3).
What are the key properties of methanethioic S-acid;octyl-tri(propan-2-yloxy)silane?
methanethioic S-acid;octyl-tri(propan-2-yloxy)silane has a molecular weight of 380.67 g/mol, XLogP of 5.67, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanethioic S-acid;octyl-tri(propan-2-yloxy)silane is sourced from PubChem (CID 175341627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).