dimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane

C32H56O2Si — CID 91694866

IUPACdimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CO[Si](C)(C)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C32H56O2Si/c1-27(2)15-11-17-29(5)19-13-21-31(7)23-25-33-35(9,10)34-26-24-32(8)22-14-20-30(6)18-12-16-28(3)4/h15-16,19-20,23-24H,11-14,17-18,21-22,25-26H2,1-10H3/b29-19+,30-20+,31-23+,32-24+
InChIKeyJHBSQBMUJVYJCM-UDUBSFCQSA-N
MW500.88 g/mol
LogP10.56
Rot. Bonds18

About dimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane

dimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane (PubChem CID 91694866) has the molecular formula C32H56O2Si and a molecular weight of 500.88 g/mol. Its IUPAC name is dimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane.

Molecular Properties

Compound Namedimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane
PubChem CID91694866
Molecular FormulaC32H56O2Si
Molecular Weight500.88 g/mol
Exact Mass500.40
IUPAC Namedimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CO[Si](C)(C)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C32H56O2Si/c1-27(2)15-11-17-29(5)19-13-21-31(7)23-25-33-35(9,10)34-26-24-32(8)22-14-20-30(6)18-12-16-28(3)4/h15-16,19-20,23-24H,11-14,17-18,21-22,25-26H2,1-10H3/b29-19+,30-20+,31-23+,32-24+
InChIKeyJHBSQBMUJVYJCM-UDUBSFCQSA-N
XLogP10.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.88
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Silicic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ethyl ester
CID 138395831
Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Geraniol, TMS derivative
CID 10998725
Nerol, trimethylsilyl ether
CID 11817006
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
Silane, dimethyldi(trans-3,7-dimethyl-2,6-octadien-1-yloxy)-
CID 19045075
[(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane
CID 88814215
tert-butyl-dimethyl-[(2E,6E)-6-methylocta-2,6-dienoxy]silane
CID 5387051
trans, trans-Farnesol, trimethylsilyl ether
CID 5365996
Nerol, tert-butyldimethylsilyl ether
CID 5366885
Geranylgeraniol, TBDMS derivative
CID 11112251
bis([(2Z)-3,7-Dimethylocta-2,6-dien-1-yl]oxy)(dimethyl)silane
CID 91697237

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane?
The IUPAC name of dimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane (CID 91694866) is dimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane.
What is the SMILES notation for dimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane?
The canonical SMILES for dimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane is CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[Si](C)(C)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of dimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane?
The InChIKey is JHBSQBMUJVYJCM-UDUBSFCQSA-N. The full InChI is InChI=1S/C32H56O2Si/c1-27(2)15-11-17-29(5)19-13-21-31(7)23-25-33-35(9,10)34-26-24-32(8)22-14-20-30(6)18-12-16-28(3)4/h15-16,19-20,23-24H,11-14,17-18,21-22,25-26H2,1-10H3/b29-19+,30-20+,31-23+,32-24+.
What are the key properties of dimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane?
dimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane has a molecular weight of 500.88 g/mol, XLogP of 10.56, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane is sourced from PubChem (CID 91694866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).