2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane

C11H22OSi — CID 173128953

IUPAC2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane
SMILESC#CCCC(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C11H22OSi/c1-7-8-9-10(11(2,3)4)12-13(5)6/h1,10,13H,8-9H2,2-6H3
InChIKeySVMRLUNJYSIDOB-UHFFFAOYSA-N
MW198.38 g/mol
LogP2.81
Rot. Bonds4

About 2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane

2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane (PubChem CID 173128953) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is 2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane.

Molecular Properties

Compound Name2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane
PubChem CID173128953
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane
SMILESC#CCCC(O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C11H22OSi/c1-7-8-9-10(11(2,3)4)12-13(5)6/h1,10,13H,8-9H2,2-6H3
InChIKeySVMRLUNJYSIDOB-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
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 2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane?
The IUPAC name of 2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane (CID 173128953) is 2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane.
What is the SMILES notation for 2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane?
The canonical SMILES for 2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane is C#CCCC(O[SiH](C)C)C(C)(C)C.
What is the InChIKey of 2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane?
The InChIKey is SVMRLUNJYSIDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-7-8-9-10(11(2,3)4)12-13(5)6/h1,10,13H,8-9H2,2-6H3.
What are the key properties of 2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane?
2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane has a molecular weight of 198.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhept-6-yn-3-yloxy(dimethyl)silane is sourced from PubChem (CID 173128953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).