1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol

C18H38O2Si2 — CID 71427896

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC(O)CCCC#C[Si](C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-18(2,3)22(7,8)20-15-12-14-17(19)13-10-9-11-16-21(4,5)6/h17,19H,9-10,12-15H2,1-8H3
InChIKeySPXCNJNFKWZKRZ-UHFFFAOYSA-N
MW342.67 g/mol
LogP5.20
Rot. Bonds8

About 1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol

1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol (PubChem CID 71427896) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol
PubChem CID71427896
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC(O)CCCC#C[Si](C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-18(2,3)22(7,8)20-15-12-14-17(19)13-10-9-11-16-21(4,5)6/h17,19H,9-10,12-15H2,1-8H3
InChIKeySPXCNJNFKWZKRZ-UHFFFAOYSA-N
XLogP5.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 55.20
H-Bond Donors ≤ 51
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

13-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilyltridec-1-yn-7-ol
CID 86668329
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
1-amino-5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 101445135
(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
CID 15605935
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
(3S)-1-[tert-butyl(dimethyl)silyl]oxydecan-3-ol
CID 125490283
(9S)-1-[tert-butyl(dimethyl)silyl]oxyoctadec-17-en-4,6-diyn-9-ol
CID 10385752
tert-butyl-dimethyl-(6-trimethylsilylhexa-3,5-diynoxy)silane
CID 71658883
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
trimethyl-[(3R,4S)-3,4,7-tris[[tert-butyl(dimethyl)silyl]oxy]hept-1-ynyl]silane
CID 10530881
(4S,13Z,16Z)-1-[tert-butyl(dimethyl)silyl]oxydocosa-13,16-dien-4-ol
CID 125481290
potassium 6-[tert-butyl(dimethyl)silyl]oxyhex-1-ynyl-trifluoroboranuide
CID 23696339

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol (CID 71427896) is 1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol is CC(C)(C)[Si](C)(C)OCCCC(O)CCCC#C[Si](C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol?
The InChIKey is SPXCNJNFKWZKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-18(2,3)22(7,8)20-15-12-14-17(19)13-10-9-11-16-21(4,5)6/h17,19H,9-10,12-15H2,1-8H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol?
1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol has a molecular weight of 342.67 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-9-trimethylsilylnon-8-yn-4-ol is sourced from PubChem (CID 71427896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).