tert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane

C20H40OSi — CID 91697354

IUPACtert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane
SMILESC/C=C\C/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22(5,6)20(2,3)4/h7-8,10-11H,9,12-19H2,1-6H3/b8-7-,11-10+
InChIKeyWRQNLIKVUWZVMA-QEFCTBRHSA-N
MW324.62 g/mol
LogP7.26
Rot. Bonds12

About tert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane

tert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane (PubChem CID 91697354) has the molecular formula C20H40OSi and a molecular weight of 324.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane
PubChem CID91697354
Molecular FormulaC20H40OSi
Molecular Weight324.62 g/mol
Exact Mass324.28
IUPAC Nametert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane
SMILESC/C=C\C/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22(5,6)20(2,3)4/h7-8,10-11H,9,12-19H2,1-6H3/b8-7-,11-10+
InChIKeyWRQNLIKVUWZVMA-QEFCTBRHSA-N
XLogP7.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.62
LogP ≤ 57.26
H-Bond Donors ≤ 50
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'}

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Related Compounds

Tert-butyl(dec-9-enyloxy)dimethylsilane
CID 10869380
1-Nonen-3-ol, tert-butyldimethylsilyl ether
CID 10868924
1-Triethylsilyloxyundec-10-ene
CID 568575
Octadec-9Z-enol trimethylsilyl ether
CID 5366884
tert-butyl-dimethyl-[(E)-12,12,12-trifluorododec-9-enoxy]silane
CID 14521703
Trimethyl(9-octadecenyloxy)-silane
CID 554435
Silane, (1,1-dimethylethyl)dimethyl(10-undecenyloxy)-
CID 10265922
Linoleyl alcohol tms ether
CID 15635192
7,12-Bis(trimethylsiloxy)octadec-9-ene
CID 91341822
(Z)-(cyclopentadec-1-en-1-yloxy)trimethylsilane
CID 154926070
Trimethyl((9Z,11E)-9,11-tetradecadien-1-yloxy)silane
CID 20838897
tert-butyl-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane
CID 59708132

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane (CID 91697354) is tert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane is C/C=C\C/C=C/CCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane?
The InChIKey is WRQNLIKVUWZVMA-QEFCTBRHSA-N. The full InChI is InChI=1S/C20H40OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22(5,6)20(2,3)4/h7-8,10-11H,9,12-19H2,1-6H3/b8-7-,11-10+.
What are the key properties of tert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane?
tert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane has a molecular weight of 324.62 g/mol, XLogP of 7.26, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(9E,12Z)-tetradeca-9,12-dienoxy]silane is sourced from PubChem (CID 91697354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).