2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane

C15H26OSi — CID 46186075

IUPAC2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane
SMILESCCCCC1(C)OCCC=C1C#C[Si](C)(C)C
InChIInChI=1S/C15H26OSi/c1-6-7-11-15(2)14(9-8-12-16-15)10-13-17(3,4)5/h9H,6-8,11-12H2,1-5H3
InChIKeyCMJWADBCHHFEFH-UHFFFAOYSA-N
MW250.46 g/mol
LogP4.16
Rot. Bonds3

About 2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane

2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane (PubChem CID 46186075) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is 2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane
PubChem CID46186075
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Name2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane
SMILESCCCCC1(C)OCCC=C1C#C[Si](C)(C)C
InChIInChI=1S/C15H26OSi/c1-6-7-11-15(2)14(9-8-12-16-15)10-13-17(3,4)5/h9H,6-8,11-12H2,1-5H3
InChIKeyCMJWADBCHHFEFH-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 54.16
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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Related Compounds

(5,5-dipropyl-2H-furan-4-yl)-trimethylsilane
CID 13382786
Trimethyl(1-oxaspiro[4.5]dec-3-en-4-yl)silane
CID 13382787
2-[1-(2-Ethylhexoxy)-3,5-dimethylcyclohexa-2,4-dien-1-yl]ethynyl-tri(propan-2-yl)silane
CID 68656412
6-Butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran
CID 46186076
2-(6,6-Dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane
CID 46186078

Frequently Asked Questions

What is the IUPAC name of 2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane (CID 46186075) is 2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane is CCCCC1(C)OCCC=C1C#C[Si](C)(C)C.
What is the InChIKey of 2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane?
The InChIKey is CMJWADBCHHFEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OSi/c1-6-7-11-15(2)14(9-8-12-16-15)10-13-17(3,4)5/h9H,6-8,11-12H2,1-5H3.
What are the key properties of 2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane?
2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane has a molecular weight of 250.46 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 46186075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).