1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone

C19H34O2Si — CID 122377679

IUPAC1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone
SMILESCCCCCC(c1cc(C(C)=O)c(C)o1)[Si](CC)(CC)CC
InChIInChI=1S/C19H34O2Si/c1-7-11-12-13-19(22(8-2,9-3)10-4)18-14-17(15(5)20)16(6)21-18/h14,19H,7-13H2,1-6H3
InChIKeyRYFPNIQMHIBJPT-UHFFFAOYSA-N
MW322.57 g/mol
LogP6.50
Rot. Bonds10

About 1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone

1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone (PubChem CID 122377679) has the molecular formula C19H34O2Si and a molecular weight of 322.57 g/mol. Its IUPAC name is 1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone
PubChem CID122377679
Molecular FormulaC19H34O2Si
Molecular Weight322.57 g/mol
Exact Mass322.23
IUPAC Name1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone
SMILESCCCCCC(c1cc(C(C)=O)c(C)o1)[Si](CC)(CC)CC
InChIInChI=1S/C19H34O2Si/c1-7-11-12-13-19(22(8-2,9-3)10-4)18-14-17(15(5)20)16(6)21-18/h14,19H,7-13H2,1-6H3
InChIKeyRYFPNIQMHIBJPT-UHFFFAOYSA-N
XLogP6.50
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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1-[2-methyl-5-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-enyl]furan-3-yl]ethanone
CID 166439773
(3R)-3-methyloctan-2-one
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CID 21290467
4-(1-trimethylsilyloctyl)benzoic acid
CID 19763849
5-acetyl-3-heptan-2-yl-1H-pyrimidine-2,4-dione
CID 80643132
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CID 58341645
3-methyloctadecan-2-one
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3-butylundecan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone?
The IUPAC name of 1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone (CID 122377679) is 1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone?
The canonical SMILES for 1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone is CCCCCC(c1cc(C(C)=O)c(C)o1)[Si](CC)(CC)CC.
What is the InChIKey of 1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone?
The InChIKey is RYFPNIQMHIBJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-7-11-12-13-19(22(8-2,9-3)10-4)18-14-17(15(5)20)16(6)21-18/h14,19H,7-13H2,1-6H3.
What are the key properties of 1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone?
1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone has a molecular weight of 322.57 g/mol, XLogP of 6.50, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(1-triethylsilylhexyl)furan-3-yl]ethanone is sourced from PubChem (CID 122377679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).