dodecyl-dimethyl-tridec-2-ynoxysilane

C27H54OSi — CID 531351

IUPACdodecyl-dimethyl-tridec-2-ynoxysilane
SMILESCCCCCCCCCCC#CCO[Si](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C27H54OSi/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-29(3,4)27-25-23-21-19-16-14-12-10-8-6-2/h5-21,23,25-27H2,1-4H3
InChIKeyHWDFRNOWIIKFIL-UHFFFAOYSA-N
MW422.81 g/mol
LogP9.66
Rot. Bonds21

About dodecyl-dimethyl-tridec-2-ynoxysilane

dodecyl-dimethyl-tridec-2-ynoxysilane (PubChem CID 531351) has the molecular formula C27H54OSi and a molecular weight of 422.81 g/mol. Its IUPAC name is dodecyl-dimethyl-tridec-2-ynoxysilane.

Molecular Properties

Compound Namedodecyl-dimethyl-tridec-2-ynoxysilane
PubChem CID531351
Molecular FormulaC27H54OSi
Molecular Weight422.81 g/mol
Exact Mass422.39
IUPAC Namedodecyl-dimethyl-tridec-2-ynoxysilane
SMILESCCCCCCCCCCC#CCO[Si](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C27H54OSi/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-29(3,4)27-25-23-21-19-16-14-12-10-8-6-2/h5-21,23,25-27H2,1-4H3
InChIKeyHWDFRNOWIIKFIL-UHFFFAOYSA-N
XLogP9.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.81
LogP ≤ 59.66
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 dodecyl-dimethyl-tridec-2-ynoxysilane?
The IUPAC name of dodecyl-dimethyl-tridec-2-ynoxysilane (CID 531351) is dodecyl-dimethyl-tridec-2-ynoxysilane.
What is the SMILES notation for dodecyl-dimethyl-tridec-2-ynoxysilane?
The canonical SMILES for dodecyl-dimethyl-tridec-2-ynoxysilane is CCCCCCCCCCC#CCO[Si](C)(C)CCCCCCCCCCCC.
What is the InChIKey of dodecyl-dimethyl-tridec-2-ynoxysilane?
The InChIKey is HWDFRNOWIIKFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54OSi/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-29(3,4)27-25-23-21-19-16-14-12-10-8-6-2/h5-21,23,25-27H2,1-4H3.
What are the key properties of dodecyl-dimethyl-tridec-2-ynoxysilane?
dodecyl-dimethyl-tridec-2-ynoxysilane has a molecular weight of 422.81 g/mol, XLogP of 9.66, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-tridec-2-ynoxysilane is sourced from PubChem (CID 531351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).