(7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol

C17H30O2Si — CID 46854919

IUPAC(7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol
SMILESCC(C)=CC(O)C#C/C(C)=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O2Si/c1-14(2)13-16(18)10-9-15(3)11-12-19-20(7,8)17(4,5)6/h11,13,16,18H,12H2,1-8H3/b15-11-
InChIKeySJTLRBATNOEMLA-PTNGSMBKSA-N
MW294.51 g/mol
LogP4.28
Rot. Bonds4

About (7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol

(7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol (PubChem CID 46854919) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is (7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol.

Molecular Properties

Compound Name(7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol
PubChem CID46854919
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name(7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol
SMILESCC(C)=CC(O)C#C/C(C)=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O2Si/c1-14(2)13-16(18)10-9-15(3)11-12-19-20(7,8)17(4,5)6/h11,13,16,18H,12H2,1-8H3/b15-11-
InChIKeySJTLRBATNOEMLA-PTNGSMBKSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(E)-2-methyl-7-trimethylsilylhept-2-en-6-yn-1-ol
CID 134981587
(Z)-7-[tert-butyl(dimethyl)silyl]oxy-4-fluorohept-4-en-1-yn-3-ol
CID 20063419
7-(Tert-butyldimethylsilyloxy)-4-fluoro-3-hydroxy-4-hepten-1-yne
CID 53888854
(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,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
CID 25146570
(2R,3E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhexa-3,5-dien-2-ol
CID 42643392
Tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane
CID 57332464
(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
CID 102518304
(Z)-4-methyl-6-trimethylsilylhex-3-en-5-yn-2-ol
CID 134864564
(6E,10E)-7,11,15-trimethyl-5-tri(propan-2-yl)silyloxyhexadeca-6,10,14-trien-2-yn-1-ol
CID 134875012

Frequently Asked Questions

What is the IUPAC name of (7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol?
The IUPAC name of (7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol (CID 46854919) is (7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol.
What is the SMILES notation for (7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol?
The canonical SMILES for (7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol is CC(C)=CC(O)C#C/C(C)=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol?
The InChIKey is SJTLRBATNOEMLA-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-14(2)13-16(18)10-9-15(3)11-12-19-20(7,8)17(4,5)6/h11,13,16,18H,12H2,1-8H3/b15-11-.
What are the key properties of (7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol?
(7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol has a molecular weight of 294.51 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-ol is sourced from PubChem (CID 46854919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).