oxan-2-yl(4-phenylbutyl)silane

C15H24OSi — CID 173014298

IUPACoxan-2-yl(4-phenylbutyl)silane
SMILESc1ccc(CCCC[SiH2]C2CCCCO2)cc1
InChIInChI=1S/C15H24OSi/c1-2-8-14(9-3-1)10-5-7-13-17-15-11-4-6-12-16-15/h1-3,8-9,15H,4-7,10-13,17H2
InChIKeyAPWPWLLRBSCBIJ-UHFFFAOYSA-N
MW248.44 g/mol
LogP3.12
Rot. Bonds6

About oxan-2-yl(4-phenylbutyl)silane

oxan-2-yl(4-phenylbutyl)silane (PubChem CID 173014298) has the molecular formula C15H24OSi and a molecular weight of 248.44 g/mol. Its IUPAC name is oxan-2-yl(4-phenylbutyl)silane.

Molecular Properties

Compound Nameoxan-2-yl(4-phenylbutyl)silane
PubChem CID173014298
Molecular FormulaC15H24OSi
Molecular Weight248.44 g/mol
Exact Mass248.16
IUPAC Nameoxan-2-yl(4-phenylbutyl)silane
SMILESc1ccc(CCCC[SiH2]C2CCCCO2)cc1
InChIInChI=1S/C15H24OSi/c1-2-8-14(9-3-1)10-5-7-13-17-15-11-4-6-12-16-15/h1-3,8-9,15H,4-7,10-13,17H2
InChIKeyAPWPWLLRBSCBIJ-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 53.12
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'}

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Related Compounds

benzyl(oxan-2-yl)silane
CID 123526004
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
2-[2-[3-(4-phenylbutoxymethyl)phenyl]ethoxy]oxane
CID 69438064
oxan-2-yl(phenyl)silane
CID 123640757
oxan-2-yl(1-phenylpentan-2-yl)silane
CID 173081918
2-[(E)-5-phenylpent-1-enyl]oxane
CID 10242966
2-(3-phenylpropylsulfonylmethyl)oxane
CID 78850846
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634
4-phenylbutylbenzene
CID 141301927
CID 123578263
CID 123578263
4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
CID 129363636

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl(4-phenylbutyl)silane?
The IUPAC name of oxan-2-yl(4-phenylbutyl)silane (CID 173014298) is oxan-2-yl(4-phenylbutyl)silane.
What is the SMILES notation for oxan-2-yl(4-phenylbutyl)silane?
The canonical SMILES for oxan-2-yl(4-phenylbutyl)silane is c1ccc(CCCC[SiH2]C2CCCCO2)cc1.
What is the InChIKey of oxan-2-yl(4-phenylbutyl)silane?
The InChIKey is APWPWLLRBSCBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OSi/c1-2-8-14(9-3-1)10-5-7-13-17-15-11-4-6-12-16-15/h1-3,8-9,15H,4-7,10-13,17H2.
What are the key properties of oxan-2-yl(4-phenylbutyl)silane?
oxan-2-yl(4-phenylbutyl)silane has a molecular weight of 248.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl(4-phenylbutyl)silane is sourced from PubChem (CID 173014298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).