dimethyl-octyl-[(E)-undec-2-enoxy]silane

C21H44OSi — CID 5353191

IUPACdimethyl-octyl-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](C)(C)CCCCCCCC
InChIInChI=1S/C21H44OSi/c1-5-7-9-11-13-14-15-16-18-20-22-23(3,4)21-19-17-12-10-8-6-2/h16,18H,5-15,17,19-21H2,1-4H3/b18-16+
InChIKeyTZNJFBXLNFQJTQ-FBMGVBCBSA-N
MW340.67 g/mol
LogP7.88
Rot. Bonds17

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

dimethyl-octyl-[(E)-undec-2-enoxy]silane (PubChem CID 5353191) has the molecular formula C21H44OSi and a molecular weight of 340.67 g/mol. Its IUPAC name is dimethyl-octyl-[(E)-undec-2-enoxy]silane.

Molecular Properties

Compound Namedimethyl-octyl-[(E)-undec-2-enoxy]silane
PubChem CID5353191
Molecular FormulaC21H44OSi
Molecular Weight340.67 g/mol
Exact Mass340.32
IUPAC Namedimethyl-octyl-[(E)-undec-2-enoxy]silane
SMILESCCCCCCCC/C=C/CO[Si](C)(C)CCCCCCCC
InChIInChI=1S/C21H44OSi/c1-5-7-9-11-13-14-15-16-18-20-22-23(3,4)21-19-17-12-10-8-6-2/h16,18H,5-15,17,19-21H2,1-4H3/b18-16+
InChIKeyTZNJFBXLNFQJTQ-FBMGVBCBSA-N
XLogP7.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.67
LogP ≤ 57.88
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
2-Decen-1-ol, (E)-, TMS derivative
CID 14970964
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
1-Triisobutylsilyloxyundec-2-ene
CID 5353181
1-Trimethylsilyoxylundec-2-ene
CID 5353184
1-Dimethylisopropylsilyloxyundec-2-ene
CID 5353188
2-Dimethyloctylsilyloxyoct-3-ene
CID 5353190
2-Tripropylsilyloxyoct-3-ene
CID 5353192
1-Tripropylsilyloxyundec-2-ene
CID 5353193
2-Trihexylsilyloxyoct-3-ene
CID 5353195
1-Trihexylsilyloxyundec-2-ene
CID 5353196
2-Tributylsilyloxyoct-3-ene
CID 5353200

Frequently Asked Questions

What is the IUPAC name of dimethyl-octyl-[(E)-undec-2-enoxy]silane?
The IUPAC name of dimethyl-octyl-[(E)-undec-2-enoxy]silane (CID 5353191) is dimethyl-octyl-[(E)-undec-2-enoxy]silane.
What is the SMILES notation for dimethyl-octyl-[(E)-undec-2-enoxy]silane?
The canonical SMILES for dimethyl-octyl-[(E)-undec-2-enoxy]silane is CCCCCCCC/C=C/CO[Si](C)(C)CCCCCCCC.
What is the InChIKey of dimethyl-octyl-[(E)-undec-2-enoxy]silane?
The InChIKey is TZNJFBXLNFQJTQ-FBMGVBCBSA-N. The full InChI is InChI=1S/C21H44OSi/c1-5-7-9-11-13-14-15-16-18-20-22-23(3,4)21-19-17-12-10-8-6-2/h16,18H,5-15,17,19-21H2,1-4H3/b18-16+.
What are the key properties of dimethyl-octyl-[(E)-undec-2-enoxy]silane?
dimethyl-octyl-[(E)-undec-2-enoxy]silane has a molecular weight of 340.67 g/mol, XLogP of 7.88, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octyl-[(E)-undec-2-enoxy]silane is sourced from PubChem (CID 5353191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).