[4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane

C23H44OSSi — CID 15037123

IUPAC[4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane
SMILESCCCCCCCCCCCCSCc1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C23H44OSSi/c1-5-9-10-11-12-13-14-15-16-17-18-25-21-22-19-23(24-20-22)26(6-2,7-3)8-4/h19-20H,5-18,21H2,1-4H3
InChIKeyXSVJPKYPWAMHOJ-UHFFFAOYSA-N
MW396.76 g/mol
LogP8.15
Rot. Bonds17

About [4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane

[4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane (PubChem CID 15037123) has the molecular formula C23H44OSSi and a molecular weight of 396.76 g/mol. Its IUPAC name is [4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane.

Molecular Properties

Compound Name[4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane
PubChem CID15037123
Molecular FormulaC23H44OSSi
Molecular Weight396.76 g/mol
Exact Mass396.29
IUPAC Name[4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane
SMILESCCCCCCCCCCCCSCc1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C23H44OSSi/c1-5-9-10-11-12-13-14-15-16-17-18-25-21-22-19-23(24-20-22)26(6-2,7-3)8-4/h19-20H,5-18,21H2,1-4H3
InChIKeyXSVJPKYPWAMHOJ-UHFFFAOYSA-N
XLogP8.15
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.76
LogP ≤ 58.15
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

1,3-bis(octadecylsulfanylmethyl)benzene
CID 170908895
[3-fluoro-5-(pentylsulfanylmethyl)phenyl]methanamine
CID 107752201
[4-(heptylsulfanylmethyl)phenyl]methanamine
CID 66988842
1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide
CID 19019858
2-(hexylsulfanylmethyl)-5-hydroxypyran-4-one
CID 50899743
1-tert-butyl-4-(octylsulfanylmethyl)benzene
CID 10803615
N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide
CID 19915268
2,4-bis(decylsulfanylmethyl)-6-methylphenol;2-methyl-4,6-bis(nonylsulfanylmethyl)phenol
CID 89120375
5-hydroxy-2-(pentylsulfanylmethyl)pyran-4-one
CID 52945274
(5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate
CID 19019864
1-tetracosylsulfanyloctacosane
CID 87077758
1-tetracosylsulfanyltetracosane
CID 14647813

Frequently Asked Questions

What is the IUPAC name of [4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane?
The IUPAC name of [4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane (CID 15037123) is [4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane.
What is the SMILES notation for [4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane?
The canonical SMILES for [4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane is CCCCCCCCCCCCSCc1coc([Si](CC)(CC)CC)c1.
What is the InChIKey of [4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane?
The InChIKey is XSVJPKYPWAMHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44OSSi/c1-5-9-10-11-12-13-14-15-16-17-18-25-21-22-19-23(24-20-22)26(6-2,7-3)8-4/h19-20H,5-18,21H2,1-4H3.
What are the key properties of [4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane?
[4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane has a molecular weight of 396.76 g/mol, XLogP of 8.15, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane is sourced from PubChem (CID 15037123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).