3-methyl-7-trimethylsilylhept-6-yn-2-ol

C11H22OSi — CID 72805357

IUPAC3-methyl-7-trimethylsilylhept-6-yn-2-ol
SMILESCC(O)C(C)CCC#C[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-10(11(2)12)8-6-7-9-13(3,4)5/h10-12H,6,8H2,1-5H3
InChIKeyPYLPKDYCXWFXLT-UHFFFAOYSA-N
MW198.38 g/mol
LogP2.66
Rot. Bonds3

About 3-methyl-7-trimethylsilylhept-6-yn-2-ol

3-methyl-7-trimethylsilylhept-6-yn-2-ol (PubChem CID 72805357) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 3-methyl-7-trimethylsilylhept-6-yn-2-ol.

Molecular Properties

Compound Name3-methyl-7-trimethylsilylhept-6-yn-2-ol
PubChem CID72805357
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name3-methyl-7-trimethylsilylhept-6-yn-2-ol
SMILESCC(O)C(C)CCC#C[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-10(11(2)12)8-6-7-9-13(3,4)5/h10-12H,6,8H2,1-5H3
InChIKeyPYLPKDYCXWFXLT-UHFFFAOYSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 3-methyl-7-trimethylsilylhept-6-yn-2-ol?
The IUPAC name of 3-methyl-7-trimethylsilylhept-6-yn-2-ol (CID 72805357) is 3-methyl-7-trimethylsilylhept-6-yn-2-ol.
What is the SMILES notation for 3-methyl-7-trimethylsilylhept-6-yn-2-ol?
The canonical SMILES for 3-methyl-7-trimethylsilylhept-6-yn-2-ol is CC(O)C(C)CCC#C[Si](C)(C)C.
What is the InChIKey of 3-methyl-7-trimethylsilylhept-6-yn-2-ol?
The InChIKey is PYLPKDYCXWFXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-10(11(2)12)8-6-7-9-13(3,4)5/h10-12H,6,8H2,1-5H3.
What are the key properties of 3-methyl-7-trimethylsilylhept-6-yn-2-ol?
3-methyl-7-trimethylsilylhept-6-yn-2-ol has a molecular weight of 198.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-trimethylsilylhept-6-yn-2-ol is sourced from PubChem (CID 72805357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).