4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane

C12H22OSi — CID 14753510

IUPAC4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane
SMILESC#CCC(C)(C=C(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H22OSi/c1-8-9-12(4,10-11(2)3)13-14(5,6)7/h1,10H,9H2,2-7H3
InChIKeyPWKYRXHTDJLSBG-UHFFFAOYSA-N
MW210.39 g/mol
LogP3.59
Rot. Bonds4

About 4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane

4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane (PubChem CID 14753510) has the molecular formula C12H22OSi and a molecular weight of 210.39 g/mol. Its IUPAC name is 4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane.

Molecular Properties

Compound Name4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane
PubChem CID14753510
Molecular FormulaC12H22OSi
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane
SMILESC#CCC(C)(C=C(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H22OSi/c1-8-9-12(4,10-11(2)3)13-14(5,6)7/h1,10H,9H2,2-7H3
InChIKeyPWKYRXHTDJLSBG-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane?
The IUPAC name of 4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane (CID 14753510) is 4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane.
What is the SMILES notation for 4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane?
The canonical SMILES for 4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane is C#CCC(C)(C=C(C)C)O[Si](C)(C)C.
What is the InChIKey of 4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane?
The InChIKey is PWKYRXHTDJLSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OSi/c1-8-9-12(4,10-11(2)3)13-14(5,6)7/h1,10H,9H2,2-7H3.
What are the key properties of 4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane?
4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane has a molecular weight of 210.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylhept-5-en-1-yn-4-yloxy(trimethyl)silane is sourced from PubChem (CID 14753510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).