(E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol

C17H34O2Si2 — CID 138981962

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC(O)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C17H34O2Si2/c1-17(2,3)21(7,8)19-14-11-13-16(18)12-9-10-15-20(4,5)6/h9,12,16,18H,11,13-14H2,1-8H3/b12-9+
InChIKeyQNDZKOIPXNMISE-FMIVXFBMSA-N
MW326.63 g/mol
LogP4.59
Rot. Bonds6

About (E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol

(E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol (PubChem CID 138981962) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol
PubChem CID138981962
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol
SMILESCC(C)(C)[Si](C)(C)OCCCC(O)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C17H34O2Si2/c1-17(2,3)21(7,8)19-14-11-13-16(18)12-9-10-15-20(4,5)6/h9,12,16,18H,11,13-14H2,1-8H3/b12-9+
InChIKeyQNDZKOIPXNMISE-FMIVXFBMSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.59
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

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(1R,4R,5S,6S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11569387
(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706267
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706328
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol
CID 57389170
(Z)-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 10797972
(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
CID 11381004
(E,4S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-2-en-4-ol
CID 11402685
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-1-en-7-yn-3-ol
CID 11823595
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 15263360

Frequently Asked Questions

What is the IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol (CID 138981962) is (E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol is CC(C)(C)[Si](C)(C)OCCCC(O)/C=C/C#C[Si](C)(C)C.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol?
The InChIKey is QNDZKOIPXNMISE-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-17(2,3)21(7,8)19-14-11-13-16(18)12-9-10-15-20(4,5)6/h9,12,16,18H,11,13-14H2,1-8H3/b12-9+.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol?
(E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol has a molecular weight of 326.63 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-5-en-7-yn-4-ol is sourced from PubChem (CID 138981962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).