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

C22H38O3Si — CID 54357334

IUPAC6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol
SMILESCC(=CCOC1CCCCO1)CCC=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
InChIKeyUKANAQWPBMAJNG-UHFFFAOYSA-N
MW378.63 g/mol
LogP5.22
Rot. Bonds9

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

6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol (PubChem CID 54357334) has the molecular formula C22H38O3Si and a molecular weight of 378.63 g/mol. Its IUPAC name is 6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol.

Molecular Properties

Compound Name6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol
PubChem CID54357334
Molecular FormulaC22H38O3Si
Molecular Weight378.63 g/mol
Exact Mass378.26
IUPAC Name6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol
SMILESCC(=CCOC1CCCCO1)CCC=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
InChIKeyUKANAQWPBMAJNG-UHFFFAOYSA-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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Related Compounds

(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-ol
CID 15726375
[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
CID 138963665
ethyl (7E,11E)-4-hydroxy-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-ynoate
CID 15726377
tert-butyl-[(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-yl]oxy-dimethylsilane
CID 15726381
tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
CID 15726383
(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-ol
CID 15726373
(6Z,10Z)-2,6,10-trimethyl-12-[(tetrahydro-2H-pyran-2-yl)oxy]-1,6,10-dodecatrien-3-ol
CID 21242304
(5E,9E)-6,10,14-trimethyl-13-(oxan-2-yloxy)pentadeca-5,9,14-trien-2-yn-4-ol
CID 21242356
2,9,13-Trimethyl-1-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol
CID 53739586
6,10-Dimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-ol
CID 53747079
3,7,11-Trimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trien-4-ol
CID 53847534
2,7,11-Trimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trien-4-ol
CID 53861750

Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol?
The IUPAC name of 6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol (CID 54357334) is 6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol.
What is the SMILES notation for 6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol?
The canonical SMILES for 6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol is CC(=CCOC1CCCCO1)CCC=C(C)CCC(O)C#C[Si](C)(C)C.
What is the InChIKey of 6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol?
The InChIKey is UKANAQWPBMAJNG-UHFFFAOYSA-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.
What are the key properties of 6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol?
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 6,10-dimethyl-12-(oxan-2-yloxy)-1-trimethylsilyldodeca-6,10-dien-1-yn-3-ol is sourced from PubChem (CID 54357334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).