1-trichlorosilylhexadeca-11,13-diyn-4-ol

C16H25Cl3OSi — CID 56999202

IUPAC1-trichlorosilylhexadeca-11,13-diyn-4-ol
SMILESCCC#CC#CCCCCCCC(O)CCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C16H25Cl3OSi/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14-12-15-21(17,18)19/h16,20H,2,7-15H2,1H3
InChIKeyROEGINBVMWPOOA-UHFFFAOYSA-N
MW367.82 g/mol
LogP5.54
Rot. Bonds10

About 1-trichlorosilylhexadeca-11,13-diyn-4-ol

1-trichlorosilylhexadeca-11,13-diyn-4-ol (PubChem CID 56999202) has the molecular formula C16H25Cl3OSi and a molecular weight of 367.82 g/mol. Its IUPAC name is 1-trichlorosilylhexadeca-11,13-diyn-4-ol.

Molecular Properties

Compound Name1-trichlorosilylhexadeca-11,13-diyn-4-ol
PubChem CID56999202
Molecular FormulaC16H25Cl3OSi
Molecular Weight367.82 g/mol
Exact Mass366.07
IUPAC Name1-trichlorosilylhexadeca-11,13-diyn-4-ol
SMILESCCC#CC#CCCCCCCC(O)CCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C16H25Cl3OSi/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14-12-15-21(17,18)19/h16,20H,2,7-15H2,1H3
InChIKeyROEGINBVMWPOOA-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.82
LogP ≤ 55.54
H-Bond Donors ≤ 51
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': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-trichlorosilylhexadeca-11,13-diyn-4-ol?
The IUPAC name of 1-trichlorosilylhexadeca-11,13-diyn-4-ol (CID 56999202) is 1-trichlorosilylhexadeca-11,13-diyn-4-ol.
What is the SMILES notation for 1-trichlorosilylhexadeca-11,13-diyn-4-ol?
The canonical SMILES for 1-trichlorosilylhexadeca-11,13-diyn-4-ol is CCC#CC#CCCCCCCC(O)CCC[Si](Cl)(Cl)Cl.
What is the InChIKey of 1-trichlorosilylhexadeca-11,13-diyn-4-ol?
The InChIKey is ROEGINBVMWPOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl3OSi/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14-12-15-21(17,18)19/h16,20H,2,7-15H2,1H3.
What are the key properties of 1-trichlorosilylhexadeca-11,13-diyn-4-ol?
1-trichlorosilylhexadeca-11,13-diyn-4-ol has a molecular weight of 367.82 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trichlorosilylhexadeca-11,13-diyn-4-ol is sourced from PubChem (CID 56999202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).