9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol

C16H30O2Si — CID 132536879

IUPAC9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol
SMILESC=C(C)CC(O)CC#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-14(2)13-15(17)11-9-8-10-12-18-19(6,7)16(3,4)5/h15,17H,1,10-13H2,2-7H3
InChIKeyRJSUNJSUDDEVEE-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.12
Rot. Bonds6

About 9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol

9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol (PubChem CID 132536879) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is 9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol.

Molecular Properties

Compound Name9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol
PubChem CID132536879
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol
SMILESC=C(C)CC(O)CC#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-14(2)13-15(17)11-9-8-10-12-18-19(6,7)16(3,4)5/h15,17H,1,10-13H2,2-7H3
InChIKeyRJSUNJSUDDEVEE-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.12
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(Trimethylsilylmethyl)hept-1-en-4-ol
CID 10726730
(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol
CID 11174922
(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)non-1-en-8-yn-4-ol
CID 11325698
5-(Trimethylsilylmethyl)hex-5-en-3-ol
CID 12930293
7-[Tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol
CID 134968749
tert-butyl-[(4S)-7-ethoxy-2-methylhept-1-en-6-yn-4-yl]oxy-dimethylsilane
CID 135045556
7-[Tert-butyl(dimethyl)silyl]oxy-2-methylidenedodeca-8,9-dien-3-yn-1-ol
CID 164666342
2-Methyl-7-trimethylsilylhept-1-en-6-yn-3-ol
CID 14110518
10-Trimethylsilyloxyundec-1-en-7-yn-5-ol
CID 22069120
7-[Tert-butyl(dimethyl)silyl]oxyhept-1-en-5-yn-4-ol
CID 171800849
2-Methyl-8-trimethylsilyloct-1-en-6-yn-3-ol
CID 11106648
7-[Tert-butyl(dimethyl)silyl]oxyoct-1-en-5-yn-4-ol
CID 11402573

Frequently Asked Questions

What is the IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol?
The IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol (CID 132536879) is 9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol.
What is the SMILES notation for 9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol?
The canonical SMILES for 9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol is C=C(C)CC(O)CC#CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol?
The InChIKey is RJSUNJSUDDEVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-14(2)13-15(17)11-9-8-10-12-18-19(6,7)16(3,4)5/h15,17H,1,10-13H2,2-7H3.
What are the key properties of 9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol?
9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol has a molecular weight of 282.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-1-en-6-yn-4-ol is sourced from PubChem (CID 132536879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).