(Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile

C18H35NOSi — CID 57331776

IUPAC(Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C\CCCCCCC#N
InChIInChI=1S/C18H35NOSi/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19/h9,11H,6-8,10,12-15,17H2,1-5H3/b11-9-
InChIKeyBPHZPUAQJXJJHN-LUAWRHEFSA-N
MW309.57 g/mol
LogP6.21
Rot. Bonds11

About (Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile

(Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile (PubChem CID 57331776) has the molecular formula C18H35NOSi and a molecular weight of 309.57 g/mol. Its IUPAC name is (Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile.

Molecular Properties

Compound Name(Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile
PubChem CID57331776
Molecular FormulaC18H35NOSi
Molecular Weight309.57 g/mol
Exact Mass309.25
IUPAC Name(Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C\CCCCCCC#N
InChIInChI=1S/C18H35NOSi/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19/h9,11H,6-8,10,12-15,17H2,1-5H3/b11-9-
InChIKeyBPHZPUAQJXJJHN-LUAWRHEFSA-N
XLogP6.21
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.57
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(E)-12,12-difluorododec-4-enoxy]-dimethylsilane
CID 59708132
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
tert-butyl-[(E)-hex-4-enoxy]-dimethylsilane
CID 15936622
tert-butyl-[(5Z,9Z)-10-ethoxydeca-5,9-dienoxy]-dimethylsilane
CID 11197758
tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
CID 11371613
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-dimethyl-[(Z)-tetradec-8-en-3-ynoxy]silane
CID 134841889

Frequently Asked Questions

What is the IUPAC name of (Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile?
The IUPAC name of (Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile (CID 57331776) is (Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile.
What is the SMILES notation for (Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile?
The canonical SMILES for (Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile is CC(C)(C)[Si](C)(C)OCCC/C=C\CCCCCCC#N.
What is the InChIKey of (Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile?
The InChIKey is BPHZPUAQJXJJHN-LUAWRHEFSA-N. The full InChI is InChI=1S/C18H35NOSi/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19/h9,11H,6-8,10,12-15,17H2,1-5H3/b11-9-.
What are the key properties of (Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile?
(Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile has a molecular weight of 309.57 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile is sourced from PubChem (CID 57331776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).