4-methylidene-1-trimethylsilylhept-1-yn-3-ol

C11H20OSi — CID 121220588

IUPAC4-methylidene-1-trimethylsilylhept-1-yn-3-ol
SMILESC=C(CCC)C(O)C#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-6-7-10(2)11(12)8-9-13(3,4)5/h11-12H,2,6-7H2,1,3-5H3
InChIKeyWGUBJSZSGXREDM-UHFFFAOYSA-N
MW196.37 g/mol
LogP2.58
Rot. Bonds3

About 4-methylidene-1-trimethylsilylhept-1-yn-3-ol

4-methylidene-1-trimethylsilylhept-1-yn-3-ol (PubChem CID 121220588) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is 4-methylidene-1-trimethylsilylhept-1-yn-3-ol.

Molecular Properties

Compound Name4-methylidene-1-trimethylsilylhept-1-yn-3-ol
PubChem CID121220588
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name4-methylidene-1-trimethylsilylhept-1-yn-3-ol
SMILESC=C(CCC)C(O)C#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-6-7-10(2)11(12)8-9-13(3,4)5/h11-12H,2,6-7H2,1,3-5H3
InChIKeyWGUBJSZSGXREDM-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(R)-2-((Trimethylsilyl)ethynyl)cyclopent-2-en-1-ol
CID 10932039
5-(Trimethylsilylmethyl)hex-5-en-2-ol
CID 11030538
(1S)-3-[2-tri(propan-2-yl)silylethynyl]cyclopent-2-en-1-ol
CID 11459757
2-Methylidene-6-trimethylsilylhex-5-yn-1-ol
CID 11557392
(5R,6R)-2,6-dimethyl-6-trimethylsilylnona-2,3-dien-7-yn-5-ol
CID 15721119
(5R,6R)-2-methyl-6-prop-1-ynyl-6-trimethylsilyldeca-2,3,9-trien-5-ol
CID 15721123
(3R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-1-en-3-ol
CID 50941155
(3S)-1-trimethylsilyloct-7-en-1-yn-3-ol
CID 102063168
(6E)-2,6-dimethyl-11-trimethylsilylundeca-1,6-dien-10-yn-3-ol
CID 122380458
7-[Tert-butyl(dimethyl)silyl]oxy-2-methylidenenon-8-en-3-yn-1-ol
CID 134968749
6-Methylidene-10-trimethylsilyldec-1-en-9-yn-3-ol
CID 139252744
6-Methylidene-10-trimethylsilyldec-1-en-9-yn-5-ol
CID 139252751

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-trimethylsilylhept-1-yn-3-ol?
The IUPAC name of 4-methylidene-1-trimethylsilylhept-1-yn-3-ol (CID 121220588) is 4-methylidene-1-trimethylsilylhept-1-yn-3-ol.
What is the SMILES notation for 4-methylidene-1-trimethylsilylhept-1-yn-3-ol?
The canonical SMILES for 4-methylidene-1-trimethylsilylhept-1-yn-3-ol is C=C(CCC)C(O)C#C[Si](C)(C)C.
What is the InChIKey of 4-methylidene-1-trimethylsilylhept-1-yn-3-ol?
The InChIKey is WGUBJSZSGXREDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-6-7-10(2)11(12)8-9-13(3,4)5/h11-12H,2,6-7H2,1,3-5H3.
What are the key properties of 4-methylidene-1-trimethylsilylhept-1-yn-3-ol?
4-methylidene-1-trimethylsilylhept-1-yn-3-ol has a molecular weight of 196.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-trimethylsilylhept-1-yn-3-ol is sourced from PubChem (CID 121220588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).