(3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol

C13H22OSi — CID 146161409

IUPAC(3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol
SMILESCC/C=C\C[C@H](O)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-5-6-7-10-13(14)11-8-9-12-15(2,3)4/h6-8,11,13-14H,5,10H2,1-4H3/b7-6-,11-8+/t13-/m0/s1
InChIKeyDMTBUTIXWBIPRF-YZPANATGSA-N
MW222.40 g/mol
LogP3.14
Rot. Bonds4

About (3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol

(3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol (PubChem CID 146161409) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is (3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol.

Molecular Properties

Compound Name(3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol
PubChem CID146161409
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name(3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol
SMILESCC/C=C\C[C@H](O)/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-5-6-7-10-13(14)11-8-9-12-15(2,3)4/h6-8,11,13-14H,5,10H2,1-4H3/b7-6-,11-8+/t13-/m0/s1
InChIKeyDMTBUTIXWBIPRF-YZPANATGSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of (3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol?
The IUPAC name of (3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol (CID 146161409) is (3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol.
What is the SMILES notation for (3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol?
The canonical SMILES for (3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol is CC/C=C\C[C@H](O)/C=C/C#C[Si](C)(C)C.
What is the InChIKey of (3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol?
The InChIKey is DMTBUTIXWBIPRF-YZPANATGSA-N. The full InChI is InChI=1S/C13H22OSi/c1-5-6-7-10-13(14)11-8-9-12-15(2,3)4/h6-8,11,13-14H,5,10H2,1-4H3/b7-6-,11-8+/t13-/m0/s1.
What are the key properties of (3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol?
(3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol has a molecular weight of 222.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5S,7Z)-1-trimethylsilyldeca-3,7-dien-1-yn-5-ol is sourced from PubChem (CID 146161409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).