hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol

C18H44OSSi2 — CID 158456627

IUPAChydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol
SMILESCCCCCCCCCCCC(S)[Si](C)(C)C.C[Si](C)(C)O
InChIInChI=1S/C15H34SSi.C3H10OSi/c1-5-6-7-8-9-10-11-12-13-14-15(16)17(2,3)4;1-5(2,3)4/h15-16H,5-14H2,1-4H3;4H,1-3H3
InChIKeyHEQLTPWPVXUAKT-UHFFFAOYSA-N
MW364.79 g/mol
LogP6.90
Rot. Bonds11

About hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol

hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol (PubChem CID 158456627) has the molecular formula C18H44OSSi2 and a molecular weight of 364.79 g/mol. Its IUPAC name is hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol.

Molecular Properties

Compound Namehydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol
PubChem CID158456627
Molecular FormulaC18H44OSSi2
Molecular Weight364.79 g/mol
Exact Mass364.27
IUPAC Namehydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol
SMILESCCCCCCCCCCCC(S)[Si](C)(C)C.C[Si](C)(C)O
InChIInChI=1S/C15H34SSi.C3H10OSi/c1-5-6-7-8-9-10-11-12-13-14-15(16)17(2,3)4;1-5(2,3)4/h15-16H,5-14H2,1-4H3;4H,1-3H3
InChIKeyHEQLTPWPVXUAKT-UHFFFAOYSA-N
XLogP6.90
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.79
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-[chloro(dimethyl)silyl]undecane-1-thiol
CID 87857427
1-trichlorosilylhexane-1-thiol
CID 175208338
1-trimethylsilylheptan-1-ol
CID 12599219
1-sulfanyloctan-1-ol
CID 21400591
1-sulfanylheptan-1-ol
CID 10441848
(9S,10S)-octadecane-9,10-dithiol
CID 98118372
dodecane-6-thiol
CID 18757094
docosane-10,11-dithiol
CID 123269259
hexadecane-6,7-dithiol
CID 91163003
dodecan-2-yl(trimethyl)silane
CID 11425039
(6R,7R)-dodecane-6,7-dithiol
CID 97050337
1-iodononatriacontane-1-thiol
CID 87857448

Frequently Asked Questions

What is the IUPAC name of hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol?
The IUPAC name of hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol (CID 158456627) is hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol.
What is the SMILES notation for hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol?
The canonical SMILES for hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol is CCCCCCCCCCCC(S)[Si](C)(C)C.C[Si](C)(C)O.
What is the InChIKey of hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol?
The InChIKey is HEQLTPWPVXUAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34SSi.C3H10OSi/c1-5-6-7-8-9-10-11-12-13-14-15(16)17(2,3)4;1-5(2,3)4/h15-16H,5-14H2,1-4H3;4H,1-3H3.
What are the key properties of hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol?
hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol has a molecular weight of 364.79 g/mol, XLogP of 6.90, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(trimethyl)silane;1-trimethylsilyldodecane-1-thiol is sourced from PubChem (CID 158456627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).