tert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane

C19H36OSi — CID 140765684

IUPACtert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane
SMILESC/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=C(C)C
InChIInChI=1S/C19H36OSi/c1-11-16(4)18(17(5)14-12-13-15(2)3)20-21(9,10)19(6,7)8/h11-14,17-18H,1-10H3/b14-12+,16-11+/t17-,18+/m0/s1
InChIKeyYDTYNDOIUGTSPX-DGVWPAOUSA-N
MW308.58 g/mol
LogP6.50
Rot. Bonds6

About tert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane

tert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane (PubChem CID 140765684) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane
PubChem CID140765684
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane
SMILESC/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=C(C)C
InChIInChI=1S/C19H36OSi/c1-11-16(4)18(17(5)14-12-13-15(2)3)20-21(9,10)19(6,7)8/h11-14,17-18H,1-10H3/b14-12+,16-11+/t17-,18+/m0/s1
InChIKeyYDTYNDOIUGTSPX-DGVWPAOUSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane (CID 140765684) is tert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane is C/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane?
The InChIKey is YDTYNDOIUGTSPX-DGVWPAOUSA-N. The full InChI is InChI=1S/C19H36OSi/c1-11-16(4)18(17(5)14-12-13-15(2)3)20-21(9,10)19(6,7)8/h11-14,17-18H,1-10H3/b14-12+,16-11+/t17-,18+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane?
tert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane has a molecular weight of 308.58 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2E,4S,5S,6E)-3,5,9-trimethyldeca-2,6,8-trien-4-yl]oxysilane is sourced from PubChem (CID 140765684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).