butyl-hex-1-ynoxy-dimethylsilane

C12H24OSi — CID 87948062

IUPACbutyl-hex-1-ynoxy-dimethylsilane
SMILESCCCCC#CO[Si](C)(C)CCCC
InChIInChI=1S/C12H24OSi/c1-5-7-9-10-11-13-14(3,4)12-8-6-2/h5-9,12H2,1-4H3
InChIKeyLTWDMSMIBJIFRR-UHFFFAOYSA-N
MW212.41 g/mol
LogP4.16
Rot. Bonds6

About butyl-hex-1-ynoxy-dimethylsilane

butyl-hex-1-ynoxy-dimethylsilane (PubChem CID 87948062) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is butyl-hex-1-ynoxy-dimethylsilane.

Molecular Properties

Compound Namebutyl-hex-1-ynoxy-dimethylsilane
PubChem CID87948062
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Namebutyl-hex-1-ynoxy-dimethylsilane
SMILESCCCCC#CO[Si](C)(C)CCCC
InChIInChI=1S/C12H24OSi/c1-5-7-9-10-11-13-14(3,4)12-8-6-2/h5-9,12H2,1-4H3
InChIKeyLTWDMSMIBJIFRR-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 butyl-hex-1-ynoxy-dimethylsilane?
The IUPAC name of butyl-hex-1-ynoxy-dimethylsilane (CID 87948062) is butyl-hex-1-ynoxy-dimethylsilane.
What is the SMILES notation for butyl-hex-1-ynoxy-dimethylsilane?
The canonical SMILES for butyl-hex-1-ynoxy-dimethylsilane is CCCCC#CO[Si](C)(C)CCCC.
What is the InChIKey of butyl-hex-1-ynoxy-dimethylsilane?
The InChIKey is LTWDMSMIBJIFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-5-7-9-10-11-13-14(3,4)12-8-6-2/h5-9,12H2,1-4H3.
What are the key properties of butyl-hex-1-ynoxy-dimethylsilane?
butyl-hex-1-ynoxy-dimethylsilane has a molecular weight of 212.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-hex-1-ynoxy-dimethylsilane is sourced from PubChem (CID 87948062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).