1-trimethylsilylhept-2-yn-1-ol

C10H20OSi — CID 14026718

IUPAC1-trimethylsilylhept-2-yn-1-ol
SMILESCCCCC#CC(O)[Si](C)(C)C
InChIInChI=1S/C10H20OSi/c1-5-6-7-8-9-10(11)12(2,3)4/h10-11H,5-7H2,1-4H3
InChIKeyOHRKSLQATXNDKT-UHFFFAOYSA-N
MW184.35 g/mol
LogP2.42
Rot. Bonds3

About 1-trimethylsilylhept-2-yn-1-ol

1-trimethylsilylhept-2-yn-1-ol (PubChem CID 14026718) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is 1-trimethylsilylhept-2-yn-1-ol.

Molecular Properties

Compound Name1-trimethylsilylhept-2-yn-1-ol
PubChem CID14026718
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name1-trimethylsilylhept-2-yn-1-ol
SMILESCCCCC#CC(O)[Si](C)(C)C
InChIInChI=1S/C10H20OSi/c1-5-6-7-8-9-10(11)12(2,3)4/h10-11H,5-7H2,1-4H3
InChIKeyOHRKSLQATXNDKT-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 52.42
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 1-trimethylsilylhept-2-yn-1-ol?
The IUPAC name of 1-trimethylsilylhept-2-yn-1-ol (CID 14026718) is 1-trimethylsilylhept-2-yn-1-ol.
What is the SMILES notation for 1-trimethylsilylhept-2-yn-1-ol?
The canonical SMILES for 1-trimethylsilylhept-2-yn-1-ol is CCCCC#CC(O)[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylhept-2-yn-1-ol?
The InChIKey is OHRKSLQATXNDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OSi/c1-5-6-7-8-9-10(11)12(2,3)4/h10-11H,5-7H2,1-4H3.
What are the key properties of 1-trimethylsilylhept-2-yn-1-ol?
1-trimethylsilylhept-2-yn-1-ol has a molecular weight of 184.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylhept-2-yn-1-ol is sourced from PubChem (CID 14026718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).