(E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol

C17H28O2Si — CID 146162787

IUPAC(E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol
SMILESCC[C@H](/C=C/C#CCC#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O2Si/c1-7-16(19-20(5,6)17(2,3)4)14-12-10-8-9-11-13-15-18/h12,14,16,18H,7,9,15H2,1-6H3/b14-12+/t16-/m1/s1
InChIKeyCAQDXSGJGAICIN-WCRPCQDQSA-N
MW292.50 g/mol
LogP3.73
Rot. Bonds4

About (E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol

(E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol (PubChem CID 146162787) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is (E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol.

Molecular Properties

Compound Name(E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol
PubChem CID146162787
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name(E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol
SMILESCC[C@H](/C=C/C#CCC#CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O2Si/c1-7-16(19-20(5,6)17(2,3)4)14-12-10-8-9-11-13-15-18/h12,14,16,18H,7,9,15H2,1-6H3/b14-12+/t16-/m1/s1
InChIKeyCAQDXSGJGAICIN-WCRPCQDQSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol with MolForge

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Related Compounds

(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 10517217
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
1,8-cis-Undecadien-5-yne 3,7-bis-trimethylsilyl ether
CID 91696575
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol
CID 11355705
(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 13357612
(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
CID 25146570
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090
tert-butyl-[(E)-hex-4-en-1-yn-3-yl]oxy-dimethylsilane
CID 102341291
(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
CID 102518304
tert-butyl-[(E,3R)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane
CID 122377729
(E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol
CID 124705723

Frequently Asked Questions

What is the IUPAC name of (E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol?
The IUPAC name of (E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol (CID 146162787) is (E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol.
What is the SMILES notation for (E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol?
The canonical SMILES for (E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol is CC[C@H](/C=C/C#CCC#CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol?
The InChIKey is CAQDXSGJGAICIN-WCRPCQDQSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-7-16(19-20(5,6)17(2,3)4)14-12-10-8-9-11-13-15-18/h12,14,16,18H,7,9,15H2,1-6H3/b14-12+/t16-/m1/s1.
What are the key properties of (E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol?
(E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol has a molecular weight of 292.50 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,9R)-9-[tert-butyl(dimethyl)silyl]oxyundec-7-en-2,5-diyn-1-ol is sourced from PubChem (CID 146162787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).