2-butyloxirane;trimethylsilane

C9H22OSi — CID 174652516

IUPAC2-butyloxirane;trimethylsilane
SMILESCCCCC1CO1.C[SiH](C)C
InChIInChI=1S/C6H12O.C3H10Si/c1-2-3-4-6-5-7-6;1-4(2)3/h6H,2-5H2,1H3;4H,1-3H3
InChIKeyCHXRLCMJYNZSLI-UHFFFAOYSA-N
MW174.36 g/mol
LogP2.68
Rot. Bonds3

About 2-butyloxirane;trimethylsilane

2-butyloxirane;trimethylsilane (PubChem CID 174652516) has the molecular formula C9H22OSi and a molecular weight of 174.36 g/mol. Its IUPAC name is 2-butyloxirane;trimethylsilane.

Molecular Properties

Compound Name2-butyloxirane;trimethylsilane
PubChem CID174652516
Molecular FormulaC9H22OSi
Molecular Weight174.36 g/mol
Exact Mass174.14
IUPAC Name2-butyloxirane;trimethylsilane
SMILESCCCCC1CO1.C[SiH](C)C
InChIInChI=1S/C6H12O.C3H10Si/c1-2-3-4-6-5-7-6;1-4(2)3/h6H,2-5H2,1H3;4H,1-3H3
InChIKeyCHXRLCMJYNZSLI-UHFFFAOYSA-N
XLogP2.68
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-pentyloxirane
CID 11147691
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
2-tetratetracontyloxirane
CID 102093754
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-hexadecyloxirane;tetradecane
CID 174899291
2-butyloxirane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 130365137
ethene;2-hexadecyloxirane
CID 174880180
2-hexadecyloxirane;oxirane
CID 175319175
(2S)-2-non-4-ynyloxirane
CID 11228997

Frequently Asked Questions

What is the IUPAC name of 2-butyloxirane;trimethylsilane?
The IUPAC name of 2-butyloxirane;trimethylsilane (CID 174652516) is 2-butyloxirane;trimethylsilane.
What is the SMILES notation for 2-butyloxirane;trimethylsilane?
The canonical SMILES for 2-butyloxirane;trimethylsilane is CCCCC1CO1.C[SiH](C)C.
What is the InChIKey of 2-butyloxirane;trimethylsilane?
The InChIKey is CHXRLCMJYNZSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C3H10Si/c1-2-3-4-6-5-7-6;1-4(2)3/h6H,2-5H2,1H3;4H,1-3H3.
What are the key properties of 2-butyloxirane;trimethylsilane?
2-butyloxirane;trimethylsilane has a molecular weight of 174.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyloxirane;trimethylsilane is sourced from PubChem (CID 174652516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).