5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol

C13H22OSi — CID 15828072

IUPAC5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol
SMILESC=C=CC(O)C(C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-7-9-12(14)13(2,3)10-8-11-15(4,5)6/h9,12,14H,1,10H2,2-6H3
InChIKeyQUHYJFUEGVWXHO-UHFFFAOYSA-N
MW222.40 g/mol
LogP2.99
Rot. Bonds3

About 5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol

5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol (PubChem CID 15828072) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol.

Molecular Properties

Compound Name5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol
PubChem CID15828072
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol
SMILESC=C=CC(O)C(C)(C)CC#C[Si](C)(C)C
InChIInChI=1S/C13H22OSi/c1-7-9-12(14)13(2,3)10-8-11-15(4,5)6/h9,12,14H,1,10H2,2-6H3
InChIKeyQUHYJFUEGVWXHO-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 52.99
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 5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol?
The IUPAC name of 5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol (CID 15828072) is 5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol.
What is the SMILES notation for 5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol?
The canonical SMILES for 5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol is C=C=CC(O)C(C)(C)CC#C[Si](C)(C)C.
What is the InChIKey of 5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol?
The InChIKey is QUHYJFUEGVWXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-7-9-12(14)13(2,3)10-8-11-15(4,5)6/h9,12,14H,1,10H2,2-6H3.
What are the key properties of 5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol?
5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol has a molecular weight of 222.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-trimethylsilylocta-1,2-dien-7-yn-4-ol is sourced from PubChem (CID 15828072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).