dimethyl-propan-2-yl-tridec-2-ynoxysilane

C18H36OSi — CID 531293

IUPACdimethyl-propan-2-yl-tridec-2-ynoxysilane
SMILESCCCCCCCCCCC#CCO[Si](C)(C)C(C)C
InChIInChI=1S/C18H36OSi/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-20(4,5)18(2)3/h18H,6-14,17H2,1-5H3
InChIKeyUDMAVXQDMZYKBM-UHFFFAOYSA-N
MW296.57 g/mol
LogP6.15
Rot. Bonds11

About dimethyl-propan-2-yl-tridec-2-ynoxysilane

dimethyl-propan-2-yl-tridec-2-ynoxysilane (PubChem CID 531293) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is dimethyl-propan-2-yl-tridec-2-ynoxysilane.

Molecular Properties

Compound Namedimethyl-propan-2-yl-tridec-2-ynoxysilane
PubChem CID531293
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Namedimethyl-propan-2-yl-tridec-2-ynoxysilane
SMILESCCCCCCCCCCC#CCO[Si](C)(C)C(C)C
InChIInChI=1S/C18H36OSi/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-20(4,5)18(2)3/h18H,6-14,17H2,1-5H3
InChIKeyUDMAVXQDMZYKBM-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.15
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
2-Dimethyloctylsilyloxybut-3-yne
CID 531295
1-Dimethyloctylsilyloxytridec-2-yne
CID 531301

Frequently Asked Questions

What is the IUPAC name of dimethyl-propan-2-yl-tridec-2-ynoxysilane?
The IUPAC name of dimethyl-propan-2-yl-tridec-2-ynoxysilane (CID 531293) is dimethyl-propan-2-yl-tridec-2-ynoxysilane.
What is the SMILES notation for dimethyl-propan-2-yl-tridec-2-ynoxysilane?
The canonical SMILES for dimethyl-propan-2-yl-tridec-2-ynoxysilane is CCCCCCCCCCC#CCO[Si](C)(C)C(C)C.
What is the InChIKey of dimethyl-propan-2-yl-tridec-2-ynoxysilane?
The InChIKey is UDMAVXQDMZYKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OSi/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-20(4,5)18(2)3/h18H,6-14,17H2,1-5H3.
What are the key properties of dimethyl-propan-2-yl-tridec-2-ynoxysilane?
dimethyl-propan-2-yl-tridec-2-ynoxysilane has a molecular weight of 296.57 g/mol, XLogP of 6.15, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-propan-2-yl-tridec-2-ynoxysilane is sourced from PubChem (CID 531293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).