7-trimethylsilylhept-6-yne-1,5-diol

C10H20O2Si — CID 23240932

IUPAC7-trimethylsilylhept-6-yne-1,5-diol
SMILESC[Si](C)(C)C#CC(O)CCCCO
InChIInChI=1S/C10H20O2Si/c1-13(2,3)9-7-10(12)6-4-5-8-11/h10-12H,4-6,8H2,1-3H3
InChIKeyZIIOKAGEUHOPDS-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.39
Rot. Bonds4

About 7-trimethylsilylhept-6-yne-1,5-diol

7-trimethylsilylhept-6-yne-1,5-diol (PubChem CID 23240932) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 7-trimethylsilylhept-6-yne-1,5-diol.

Molecular Properties

Compound Name7-trimethylsilylhept-6-yne-1,5-diol
PubChem CID23240932
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name7-trimethylsilylhept-6-yne-1,5-diol
SMILESC[Si](C)(C)C#CC(O)CCCCO
InChIInChI=1S/C10H20O2Si/c1-13(2,3)9-7-10(12)6-4-5-8-11/h10-12H,4-6,8H2,1-3H3
InChIKeyZIIOKAGEUHOPDS-UHFFFAOYSA-N
XLogP1.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 7-trimethylsilylhept-6-yne-1,5-diol?
The IUPAC name of 7-trimethylsilylhept-6-yne-1,5-diol (CID 23240932) is 7-trimethylsilylhept-6-yne-1,5-diol.
What is the SMILES notation for 7-trimethylsilylhept-6-yne-1,5-diol?
The canonical SMILES for 7-trimethylsilylhept-6-yne-1,5-diol is C[Si](C)(C)C#CC(O)CCCCO.
What is the InChIKey of 7-trimethylsilylhept-6-yne-1,5-diol?
The InChIKey is ZIIOKAGEUHOPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-13(2,3)9-7-10(12)6-4-5-8-11/h10-12H,4-6,8H2,1-3H3.
What are the key properties of 7-trimethylsilylhept-6-yne-1,5-diol?
7-trimethylsilylhept-6-yne-1,5-diol has a molecular weight of 200.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-trimethylsilylhept-6-yne-1,5-diol is sourced from PubChem (CID 23240932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).