(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol

C22H38O3Si — CID 70394079

IUPAC(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol
SMILESC/C(=C\COC1CCCCO1)CC/C=C(\C)CCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C22H38O3Si/c1-19(12-13-21(23)15-18-26(3,4)5)9-8-10-20(2)14-17-25-22-11-6-7-16-24-22/h9,14,21-23H,6-8,10-13,16-17H2,1-5H3/b19-9+,20-14+
InChIKeyUKANAQWPBMAJNG-KYRQBFFOSA-N
MW378.63 g/mol
LogP5.22
Rot. Bonds9

About (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol

(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol (PubChem CID 70394079) has the molecular formula C22H38O3Si and a molecular weight of 378.63 g/mol. Its IUPAC name is (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol.

Molecular Properties

Compound Name(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol
PubChem CID70394079
Molecular FormulaC22H38O3Si
Molecular Weight378.63 g/mol
Exact Mass378.26
IUPAC Name(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol
SMILESC/C(=C\COC1CCCCO1)CC/C=C(\C)CCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C22H38O3Si/c1-19(12-13-21(23)15-18-26(3,4)5)9-8-10-20(2)14-17-25-22-11-6-7-16-24-22/h9,14,21-23H,6-8,10-13,16-17H2,1-5H3/b19-9+,20-14+
InChIKeyUKANAQWPBMAJNG-KYRQBFFOSA-N
XLogP5.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.63
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol?
The IUPAC name of (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol (CID 70394079) is (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol.
What is the SMILES notation for (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol?
The canonical SMILES for (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol is C/C(=C\COC1CCCCO1)CC/C=C(\C)CCC(O)C#C[Si](C)(C)C.
What is the InChIKey of (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol?
The InChIKey is UKANAQWPBMAJNG-KYRQBFFOSA-N. The full InChI is InChI=1S/C22H38O3Si/c1-19(12-13-21(23)15-18-26(3,4)5)9-8-10-20(2)14-17-25-22-11-6-7-16-24-22/h9,14,21-23H,6-8,10-13,16-17H2,1-5H3/b19-9+,20-14+.
What are the key properties of (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol?
(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol has a molecular weight of 378.63 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol is sourced from PubChem (CID 70394079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).