tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane

C19H36OSi — CID 11312882

IUPACtert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane
SMILESC/C=C/C=C/C=C/C[C@H](C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi/c1-8-9-10-11-12-13-15-18(2)16-14-17-20-21(6,7)19(3,4)5/h8-13,18H,14-17H2,1-7H3/b9-8+,11-10+,13-12+/t18-/m0/s1
InChIKeyPYNLSJQGTXADGJ-DIXOBBMRSA-N
MW308.58 g/mol
LogP6.50
Rot. Bonds9

About tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane

tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane (PubChem CID 11312882) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane
PubChem CID11312882
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane
SMILESC/C=C/C=C/C=C/C[C@H](C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi/c1-8-9-10-11-12-13-15-18(2)16-14-17-20-21(6,7)19(3,4)5/h8-13,18H,14-17H2,1-7H3/b9-8+,11-10+,13-12+/t18-/m0/s1
InChIKeyPYNLSJQGTXADGJ-DIXOBBMRSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.50
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane (CID 11312882) is tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane is C/C=C/C=C/C=C/C[C@H](C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane?
The InChIKey is PYNLSJQGTXADGJ-DIXOBBMRSA-N. The full InChI is InChI=1S/C19H36OSi/c1-8-9-10-11-12-13-15-18(2)16-14-17-20-21(6,7)19(3,4)5/h8-13,18H,14-17H2,1-7H3/b9-8+,11-10+,13-12+/t18-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane?
tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane has a molecular weight of 308.58 g/mol, XLogP of 6.50, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4R,6E,8E,10E)-4-methyldodeca-6,8,10-trienoxy]silane is sourced from PubChem (CID 11312882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).