(3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol

C16H26OSi — CID 138981859

IUPAC(3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol
SMILESCC/C=C\C/C=C\CC(O)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C16H26OSi/c1-5-6-7-8-9-10-13-16(17)14-11-12-15-18(2,3)4/h6-7,9-11,14,16-17H,5,8,13H2,1-4H3/b7-6-,10-9-,14-11+
InChIKeyPMZWYIGRDSMITK-UPHYXMPTSA-N
MW262.47 g/mol
LogP4.09
Rot. Bonds6

About (3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol

(3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol (PubChem CID 138981859) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is (3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol.

Molecular Properties

Compound Name(3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol
PubChem CID138981859
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Name(3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol
SMILESCC/C=C\C/C=C\CC(O)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C16H26OSi/c1-5-6-7-8-9-10-13-16(17)14-11-12-15-18(2,3)4/h6-7,9-11,14,16-17H,5,8,13H2,1-4H3/b7-6-,10-9-,14-11+
InChIKeyPMZWYIGRDSMITK-UPHYXMPTSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol
CID 162905882
(E)-3-fluoro-1-tri(propan-2-yl)silylhept-5-en-1-yn-4-ol
CID 10517217
(Z)-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 10797972
(5E)-3-trimethylsilylhepta-1,2,5-trien-4-ol
CID 11137773
(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-ol
CID 11355705
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
CID 11674197
(1E,5E)-1-trimethylsilylhepta-1,5-dien-4-ol
CID 12715341
(Z,2R)-3-trimethylsilyloct-3-en-2-ol
CID 12846918
(1E,4E)-4-methyl-1-trimethylsilylhexa-1,4-dien-3-ol
CID 12935881
(5E)-3-trimethylsilylhepta-1,5-dien-4-ol
CID 13039868
(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 13357612
(1E,3R,5Z)-1-trimethylsilylocta-1,5-dien-3-ol
CID 14445782

Frequently Asked Questions

What is the IUPAC name of (3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol?
The IUPAC name of (3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol (CID 138981859) is (3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol.
What is the SMILES notation for (3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol?
The canonical SMILES for (3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol is CC/C=C\C/C=C\CC(O)/C=C/C#C[Si](C)(C)C.
What is the InChIKey of (3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol?
The InChIKey is PMZWYIGRDSMITK-UPHYXMPTSA-N. The full InChI is InChI=1S/C16H26OSi/c1-5-6-7-8-9-10-13-16(17)14-11-12-15-18(2,3)4/h6-7,9-11,14,16-17H,5,8,13H2,1-4H3/b7-6-,10-9-,14-11+.
What are the key properties of (3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol?
(3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol has a molecular weight of 262.47 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol is sourced from PubChem (CID 138981859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).