dimethyl-octyl-tridec-2-ynoxysilane

C23H46OSi — CID 531301

IUPACdimethyl-octyl-tridec-2-ynoxysilane
SMILESCCCCCCCCCCC#CCO[Si](C)(C)CCCCCCCC
InChIInChI=1S/C23H46OSi/c1-5-7-9-11-13-14-15-16-17-18-20-22-24-25(3,4)23-21-19-12-10-8-6-2/h5-17,19,21-23H2,1-4H3
InChIKeyQCWNJIJTXDXFMS-UHFFFAOYSA-N
MW366.71 g/mol
LogP8.10
Rot. Bonds17

About dimethyl-octyl-tridec-2-ynoxysilane

dimethyl-octyl-tridec-2-ynoxysilane (PubChem CID 531301) has the molecular formula C23H46OSi and a molecular weight of 366.71 g/mol. Its IUPAC name is dimethyl-octyl-tridec-2-ynoxysilane.

Molecular Properties

Compound Namedimethyl-octyl-tridec-2-ynoxysilane
PubChem CID531301
Molecular FormulaC23H46OSi
Molecular Weight366.71 g/mol
Exact Mass366.33
IUPAC Namedimethyl-octyl-tridec-2-ynoxysilane
SMILESCCCCCCCCCCC#CCO[Si](C)(C)CCCCCCCC
InChIInChI=1S/C23H46OSi/c1-5-7-9-11-13-14-15-16-17-18-20-22-24-25(3,4)23-21-19-12-10-8-6-2/h5-17,19,21-23H2,1-4H3
InChIKeyQCWNJIJTXDXFMS-UHFFFAOYSA-N
XLogP8.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.71
LogP ≤ 58.10
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Diethoxymethyloctadecylsilane
CID 105838
Silane, dodecyldiethoxymethyl-
CID 108922
Dimethyldodecylsilyloxyethane
CID 531757
1-(Dimethyldodecylsilyloxy)butane
CID 531758
Didecyldiethoxysilane
CID 21688959
Dinonyldiethoxysilane
CID 90258978
Didecylethoxy-silane
CID 129808903
But-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane
CID 23777790
1-Triisobutylsilyloxytridec-2-yne
CID 531267
1-Trimethylsilyloxytridec-2-yne
CID 531274
1-Dimethylisopropylsilyloxytridec-2-yne
CID 531293
2-Dimethyloctylsilyloxybut-3-yne
CID 531295

Frequently Asked Questions

What is the IUPAC name of dimethyl-octyl-tridec-2-ynoxysilane?
The IUPAC name of dimethyl-octyl-tridec-2-ynoxysilane (CID 531301) is dimethyl-octyl-tridec-2-ynoxysilane.
What is the SMILES notation for dimethyl-octyl-tridec-2-ynoxysilane?
The canonical SMILES for dimethyl-octyl-tridec-2-ynoxysilane is CCCCCCCCCCC#CCO[Si](C)(C)CCCCCCCC.
What is the InChIKey of dimethyl-octyl-tridec-2-ynoxysilane?
The InChIKey is QCWNJIJTXDXFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46OSi/c1-5-7-9-11-13-14-15-16-17-18-20-22-24-25(3,4)23-21-19-12-10-8-6-2/h5-17,19,21-23H2,1-4H3.
What are the key properties of dimethyl-octyl-tridec-2-ynoxysilane?
dimethyl-octyl-tridec-2-ynoxysilane has a molecular weight of 366.71 g/mol, XLogP of 8.10, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octyl-tridec-2-ynoxysilane is sourced from PubChem (CID 531301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).