dimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane

C19H40O2Si — CID 91698243

IUPACdimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C19H40O2Si/c1-6-7-8-9-10-11-12-13-14-17-20-22(4,5)21-18-15-16-19(2)3/h13-14,19H,6-12,15-18H2,1-5H3/b14-13+
InChIKeyHKNSVAQPQWLCBB-BUHFOSPRSA-N
MW328.61 g/mol
LogP6.46
Rot. Bonds15

About dimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane

dimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane (PubChem CID 91698243) has the molecular formula C19H40O2Si and a molecular weight of 328.61 g/mol. Its IUPAC name is dimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane.

Molecular Properties

Compound Namedimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane
PubChem CID91698243
Molecular FormulaC19H40O2Si
Molecular Weight328.61 g/mol
Exact Mass328.28
IUPAC Namedimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](C)(C)OCCCC(C)C
InChIInChI=1S/C19H40O2Si/c1-6-7-8-9-10-11-12-13-14-17-20-22(4,5)21-18-15-16-19(2)3/h13-14,19H,6-12,15-18H2,1-5H3/b14-13+
InChIKeyHKNSVAQPQWLCBB-BUHFOSPRSA-N
XLogP6.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 56.46
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

1-Trimethylsiloxy-3,7,11,15-tetramethyl-2-hexadecene
CID 5372684
Phytyl tms ether
CID 129725731
1-Triisobutylsilyloxyundec-2-ene
CID 5353181
trans-2-Decen-1-ol, tert-butyldimethylsilyl ether
CID 13033704
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)octyloxy-
CID 91697248
bis[(2E)-Dec-2-en-1-yloxy](dimethyl)silane
CID 91697257
bis[(2E)-Dodec-2-en-1-yloxy](dimethyl)silane
CID 91697260
Silane, dimethyl(undec-2-enyloxy)isobutoxy-
CID 91697325
trans-2-Dodecen-1-ol, tert-butyldimethylsilyl ether
CID 91697346
Silane, dimethyldi(undec-2-enyloxy)-
CID 91697365
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)isohexyloxy-
CID 91698238
Silane, dimethyl(non-3-enyloxy)isohexyloxy-
CID 91698241

Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane?
The IUPAC name of dimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane (CID 91698243) is dimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane.
What is the SMILES notation for dimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane?
The canonical SMILES for dimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane is CCCCCCCC/C=C/CO[Si](C)(C)OCCCC(C)C.
What is the InChIKey of dimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane?
The InChIKey is HKNSVAQPQWLCBB-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H40O2Si/c1-6-7-8-9-10-11-12-13-14-17-20-22(4,5)21-18-15-16-19(2)3/h13-14,19H,6-12,15-18H2,1-5H3/b14-13+.
What are the key properties of dimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane?
dimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane has a molecular weight of 328.61 g/mol, XLogP of 6.46, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methylpentoxy)-[(E)-undec-2-enoxy]silane is sourced from PubChem (CID 91698243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).