(3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol

C18H30OSi — CID 11087555

IUPAC(3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol
SMILESCCCCC/C=C\C[C@@H](O)/C=C\C=C\C#C[Si](C)(C)C
InChIInChI=1S/C18H30OSi/c1-5-6-7-8-9-12-15-18(19)16-13-10-11-14-17-20(2,3)4/h9-13,16,18-19H,5-8,15H2,1-4H3/b11-10+,12-9-,16-13-/t18-/m1/s1
InChIKeyKDPHRODBNIWNJK-JHPFHBFISA-N
MW290.52 g/mol
LogP4.87
Rot. Bonds8

About (3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol

(3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol (PubChem CID 11087555) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is (3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol.

Molecular Properties

Compound Name(3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol
PubChem CID11087555
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name(3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol
SMILESCCCCC/C=C\C[C@@H](O)/C=C\C=C\C#C[Si](C)(C)C
InChIInChI=1S/C18H30OSi/c1-5-6-7-8-9-12-15-18(19)16-13-10-11-14-17-20(2,3)4/h9-13,16,18-19H,5-8,15H2,1-4H3/b11-10+,12-9-,16-13-/t18-/m1/s1
InChIKeyKDPHRODBNIWNJK-JHPFHBFISA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 54.87
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol with MolForge

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Related Compounds

(5E,7E)-3,3-difluoro-1-tri(propan-2-yl)silyldodeca-5,7-dien-1-yn-4-ol
CID 10690558
(Z)-8-trimethylsilyloct-5-en-7-yn-4-ol
CID 10797972
18-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-19-methylicosa-1,18-dien-4,8,14-triyn-3-ol
CID 11374361
(1E,5E)-1-trimethylsilylhepta-1,5-dien-4-ol
CID 12715341
(5E)-3-trimethylsilylhepta-1,5-dien-4-ol
CID 13039868
(E)-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 13357612
(E)-1-trimethylsilyldec-3-en-1-yn-5-ol
CID 15176337
(E,3S)-7-trimethylsilylhept-4-en-6-yn-3-ol
CID 124705723
(E)-7-trimethylsilylhept-4-en-6-yn-3-ol
CID 130131520
(4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol
CID 134972072
(3E,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol
CID 138981693
(3E,7Z,10Z)-1-trimethylsilyltrideca-3,7,10-trien-1-yn-5-ol
CID 138981859

Frequently Asked Questions

What is the IUPAC name of (3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol?
The IUPAC name of (3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol (CID 11087555) is (3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol.
What is the SMILES notation for (3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol?
The canonical SMILES for (3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol is CCCCC/C=C\C[C@@H](O)/C=C\C=C\C#C[Si](C)(C)C.
What is the InChIKey of (3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol?
The InChIKey is KDPHRODBNIWNJK-JHPFHBFISA-N. The full InChI is InChI=1S/C18H30OSi/c1-5-6-7-8-9-12-15-18(19)16-13-10-11-14-17-20(2,3)4/h9-13,16,18-19H,5-8,15H2,1-4H3/b11-10+,12-9-,16-13-/t18-/m1/s1.
What are the key properties of (3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol?
(3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol has a molecular weight of 290.52 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,7R,9Z)-1-trimethylsilylpentadeca-3,5,9-trien-1-yn-7-ol is sourced from PubChem (CID 11087555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).