1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol

C15H30O2Si — CID 164666320

IUPAC1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol
SMILESC=CCCCC(O)C=CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-7-8-9-11-14(16)12-10-13-17-18(5,6)15(2,3)4/h7,10,12,14,16H,1,8-9,11,13H2,2-6H3
InChIKeyGKGBNBJCLRCJJP-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.28
Rot. Bonds8

About 1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol

1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol (PubChem CID 164666320) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol
PubChem CID164666320
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol
SMILESC=CCCCC(O)C=CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-7-8-9-11-14(16)12-10-13-17-18(5,6)15(2,3)4/h7,10,12,14,16H,1,8-9,11,13H2,2-6H3
InChIKeyGKGBNBJCLRCJJP-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.28
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'}

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Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorocyclopent-2-en-1-ol
CID 134895597
(Z,3S,5S,8S)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10682670
(Z,3S,5S,8R)-2,2-dimethyl-8-trimethylsilylnon-6-ene-3,5-diol
CID 10706388
(Z)-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 10797972
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
CID 12935867
(1E,4E)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-ol
CID 12935881
(Z)-2-methyl-3-(trimethylsilylmethyl)oct-3-ene-2,7-diol
CID 13508268
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 15263360

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol (CID 164666320) is 1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol is C=CCCCC(O)C=CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol?
The InChIKey is GKGBNBJCLRCJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-7-8-9-11-14(16)12-10-13-17-18(5,6)15(2,3)4/h7,10,12,14,16H,1,8-9,11,13H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol?
1-[tert-butyl(dimethyl)silyl]oxynona-2,8-dien-4-ol has a molecular weight of 270.49 g/mol, XLogP of 4.28, 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]oxynona-2,8-dien-4-ol is sourced from PubChem (CID 164666320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).