4-trimethylsilylundeca-2,6-diyn-5-ol

C14H24OSi — CID 134885203

IUPAC4-trimethylsilylundeca-2,6-diyn-5-ol
SMILESCC#CC(C(O)C#CCCCC)[Si](C)(C)C
InChIInChI=1S/C14H24OSi/c1-6-8-9-10-12-13(15)14(11-7-2)16(3,4)5/h13-15H,6,8-9H2,1-5H3
InChIKeyFDBHHLUBPQZVEQ-UHFFFAOYSA-N
MW236.43 g/mol
LogP3.27
Rot. Bonds4

About 4-trimethylsilylundeca-2,6-diyn-5-ol

4-trimethylsilylundeca-2,6-diyn-5-ol (PubChem CID 134885203) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is 4-trimethylsilylundeca-2,6-diyn-5-ol.

Molecular Properties

Compound Name4-trimethylsilylundeca-2,6-diyn-5-ol
PubChem CID134885203
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Name4-trimethylsilylundeca-2,6-diyn-5-ol
SMILESCC#CC(C(O)C#CCCCC)[Si](C)(C)C
InChIInChI=1S/C14H24OSi/c1-6-8-9-10-12-13(15)14(11-7-2)16(3,4)5/h13-15H,6,8-9H2,1-5H3
InChIKeyFDBHHLUBPQZVEQ-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.27
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilylundeca-2,6-diyn-5-ol?
The IUPAC name of 4-trimethylsilylundeca-2,6-diyn-5-ol (CID 134885203) is 4-trimethylsilylundeca-2,6-diyn-5-ol.
What is the SMILES notation for 4-trimethylsilylundeca-2,6-diyn-5-ol?
The canonical SMILES for 4-trimethylsilylundeca-2,6-diyn-5-ol is CC#CC(C(O)C#CCCCC)[Si](C)(C)C.
What is the InChIKey of 4-trimethylsilylundeca-2,6-diyn-5-ol?
The InChIKey is FDBHHLUBPQZVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OSi/c1-6-8-9-10-12-13(15)14(11-7-2)16(3,4)5/h13-15H,6,8-9H2,1-5H3.
What are the key properties of 4-trimethylsilylundeca-2,6-diyn-5-ol?
4-trimethylsilylundeca-2,6-diyn-5-ol has a molecular weight of 236.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylundeca-2,6-diyn-5-ol is sourced from PubChem (CID 134885203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).