1-trimethylsilylnona-1,7-diyn-3-ol

C12H20OSi — CID 121009157

IUPAC1-trimethylsilylnona-1,7-diyn-3-ol
SMILESCC#CCCCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-5-6-7-8-9-12(13)10-11-14(2,3)4/h12-13H,7-9H2,1-4H3
InChIKeyLYMOTJAZSIIIQZ-UHFFFAOYSA-N
MW208.38 g/mol
LogP2.42
Rot. Bonds3

About 1-trimethylsilylnona-1,7-diyn-3-ol

1-trimethylsilylnona-1,7-diyn-3-ol (PubChem CID 121009157) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is 1-trimethylsilylnona-1,7-diyn-3-ol.

Molecular Properties

Compound Name1-trimethylsilylnona-1,7-diyn-3-ol
PubChem CID121009157
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name1-trimethylsilylnona-1,7-diyn-3-ol
SMILESCC#CCCCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-5-6-7-8-9-12(13)10-11-14(2,3)4/h12-13H,7-9H2,1-4H3
InChIKeyLYMOTJAZSIIIQZ-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(3S)-1-trimethylsilyldocosa-1,13-diyn-3-ol
CID 102332029
(3S)-1-trimethylsilylhept-1-yn-3-ol
CID 12623486
(3R)-1-trimethylsilylpentadec-1-yn-3-ol
CID 10946406
(3S)-1-trimethylsilylpentadec-1-yn-3-ol
CID 11449349
(3R)-1-trimethylsilylhepta-1,6-diyn-3-ol
CID 124706922
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168
9-trimethylsilylnona-1,8-diyn-3-ol
CID 171642288
6-hydroxy-8-trimethylsilyloct-7-ynoic acid
CID 174052538
(E,3R)-1-trimethylsilyldocos-13-en-1-yn-3-ol
CID 102332031
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 15363416
(3R,4R)-3-ethyl-1-trimethylsilyloct-1-yn-4-ol
CID 15399341
2-methyldec-8-yn-4-ol
CID 104810073

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylnona-1,7-diyn-3-ol?
The IUPAC name of 1-trimethylsilylnona-1,7-diyn-3-ol (CID 121009157) is 1-trimethylsilylnona-1,7-diyn-3-ol.
What is the SMILES notation for 1-trimethylsilylnona-1,7-diyn-3-ol?
The canonical SMILES for 1-trimethylsilylnona-1,7-diyn-3-ol is CC#CCCCC(O)C#C[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylnona-1,7-diyn-3-ol?
The InChIKey is LYMOTJAZSIIIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-5-6-7-8-9-12(13)10-11-14(2,3)4/h12-13H,7-9H2,1-4H3.
What are the key properties of 1-trimethylsilylnona-1,7-diyn-3-ol?
1-trimethylsilylnona-1,7-diyn-3-ol has a molecular weight of 208.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylnona-1,7-diyn-3-ol is sourced from PubChem (CID 121009157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).