(1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol

C22H46O2Si2 — CID 12964922

IUPAC(1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol
SMILESCC/C=C\CCCCC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C22H46O2Si2/c1-10-11-12-13-14-15-16-21(23)17-20(19-25(5,6)7)18-24-26(8,9)22(2,3)4/h11-12,18,21,23H,10,13-17,19H2,1-9H3/b12-11-,20-18-
InChIKeyQKZNOQBVFRQBLJ-MMIOMWSZSA-N
MW398.78 g/mol
LogP7.51
Rot. Bonds12

About (1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol

(1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol (PubChem CID 12964922) has the molecular formula C22H46O2Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is (1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol.

Molecular Properties

Compound Name(1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol
PubChem CID12964922
Molecular FormulaC22H46O2Si2
Molecular Weight398.78 g/mol
Exact Mass398.30
IUPAC Name(1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol
SMILESCC/C=C\CCCCC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C22H46O2Si2/c1-10-11-12-13-14-15-16-21(23)17-20(19-25(5,6)7)18-24-26(8,9)22(2,3)4/h11-12,18,21,23H,10,13-17,19H2,1-9H3/b12-11-,20-18-
InChIKeyQKZNOQBVFRQBLJ-MMIOMWSZSA-N
XLogP7.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.78
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)hept-1-en-4-ol
CID 11174922
(Z)-12-[tert-butyl(dimethyl)silyl]oxy-14-ethoxytetradec-4-en-13-yn-1-ol
CID 11111747
(1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol
CID 12014235
(Z,5R,6R)-5-trimethylsilylundec-3-en-6-ol
CID 14216572
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyundec-1-en-4-ol
CID 44478239
(3E)-1-[tert-butyl(dimethyl)silyl]oxy-3-hexylnona-3,8-dien-2-ol
CID 101365455
(R)-1-(tert-Butyldimethylsilyloxy)docos-4-en-2-ol
CID 124220492
(R)-2-(tert-Butyldimethylsilyloxy)docos-4-en-1-ol
CID 124220503
(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxyundec-1-en-6-ol
CID 134836990
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-en-1-ol
CID 134846881
(10Z)-3-[tert-butyl(dimethyl)silyl]oxy-14-hydroxytetradeca-1,10-dien-1-one
CID 134873855
(1Z,10Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,10-dien-4-ol
CID 134878942

Frequently Asked Questions

What is the IUPAC name of (1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol?
The IUPAC name of (1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol (CID 12964922) is (1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol.
What is the SMILES notation for (1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol?
The canonical SMILES for (1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol is CC/C=C\CCCCC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C.
What is the InChIKey of (1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol?
The InChIKey is QKZNOQBVFRQBLJ-MMIOMWSZSA-N. The full InChI is InChI=1S/C22H46O2Si2/c1-10-11-12-13-14-15-16-21(23)17-20(19-25(5,6)7)18-24-26(8,9)22(2,3)4/h11-12,18,21,23H,10,13-17,19H2,1-9H3/b12-11-,20-18-.
What are the key properties of (1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol?
(1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol has a molecular weight of 398.78 g/mol, XLogP of 7.51, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,9Z)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,9-dien-4-ol is sourced from PubChem (CID 12964922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).