6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol

C19H38O2Si2 — CID 139252747

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol
SMILESC=CCC(O)CC(CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-10-13-17(20)16-18(14-11-12-15-22(5,6)7)21-23(8,9)19(2,3)4/h10,17-18,20H,1,11,13-14,16H2,2-9H3
InChIKeyQEBPYOWFYHYFPF-UHFFFAOYSA-N
MW354.68 g/mol
LogP5.36
Rot. Bonds8

About 6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol

6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol (PubChem CID 139252747) has the molecular formula C19H38O2Si2 and a molecular weight of 354.68 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol
PubChem CID139252747
Molecular FormulaC19H38O2Si2
Molecular Weight354.68 g/mol
Exact Mass354.24
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol
SMILESC=CCC(O)CC(CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-10-13-17(20)16-18(14-11-12-15-22(5,6)7)21-23(8,9)19(2,3)4/h10,17-18,20H,1,11,13-14,16H2,2-9H3
InChIKeyQEBPYOWFYHYFPF-UHFFFAOYSA-N
XLogP5.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol
CID 11325698
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol
CID 57389170
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxypentadec-1-en-5-ol
CID 134831056
(Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol
CID 11111747
Ctk2E3476
CID 11246239
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
CID 11823595
(4S,8S)-6-[tert-butyl(dimethyl)silyl]oxyundeca-1,10-diene-4,8-diol
CID 16059317
(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxydec-9-ene-1,3-diol
CID 16119966
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyundec-1-en-4-ol
CID 44478239
tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane
CID 46180567
(3R,4S,6R)-3,4-bis[tri(propan-2-yl)silyloxy]tridec-1-en-6-ol
CID 56594145
(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol
CID 134836990

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol (CID 139252747) is 6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol is C=CCC(O)CC(CCC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol?
The InChIKey is QEBPYOWFYHYFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2Si2/c1-10-13-17(20)16-18(14-11-12-15-22(5,6)7)21-23(8,9)19(2,3)4/h10,17-18,20H,1,11,13-14,16H2,2-9H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol?
6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol has a molecular weight of 354.68 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-10-trimethylsilyldec-1-en-9-yn-4-ol is sourced from PubChem (CID 139252747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).