methane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium

C22H38O3SY-2 — CID 159516618

IUPACmethane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium
SMILESC.CCC.COC.COc1cc[c-]cc1.COc1cc[c-]cc1.CSC.[Y]
InChIInChI=1S/2C7H7O.C3H8.C2H6O.C2H6S.CH4.Y/c2*1-8-7-5-3-2-4-6-7;3*1-3-2;;/h2*3-6H,1H3;3H2,1-2H3;2*1-2H3;1H4;/q2*-1;;;;;
InChIKeyYVMXCSSWDSWNDD-UHFFFAOYSA-N
MW471.52 g/mol
LogP6.28
Rot. Bonds2

About methane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium

methane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium (PubChem CID 159516618) has the molecular formula C22H38O3SY-2 and a molecular weight of 471.52 g/mol. Its IUPAC name is methane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium.

Molecular Properties

Compound Namemethane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium
PubChem CID159516618
Molecular FormulaC22H38O3SY-2
Molecular Weight471.52 g/mol
Exact Mass471.16
IUPAC Namemethane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium
SMILESC.CCC.COC.COc1cc[c-]cc1.COc1cc[c-]cc1.CSC.[Y]
InChIInChI=1S/2C7H7O.C3H8.C2H6O.C2H6S.CH4.Y/c2*1-8-7-5-3-2-4-6-7;3*1-3-2;;/h2*3-6H,1H3;3H2,1-2H3;2*1-2H3;1H4;/q2*-1;;;;;
InChIKeyYVMXCSSWDSWNDD-UHFFFAOYSA-N
XLogP6.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium?
The IUPAC name of methane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium (CID 159516618) is methane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium.
What is the SMILES notation for methane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium?
The canonical SMILES for methane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium is C.CCC.COC.COc1cc[c-]cc1.COc1cc[c-]cc1.CSC.[Y].
What is the InChIKey of methane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium?
The InChIKey is YVMXCSSWDSWNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7O.C3H8.C2H6O.C2H6S.CH4.Y/c2*1-8-7-5-3-2-4-6-7;3*1-3-2;;/h2*3-6H,1H3;3H2,1-2H3;2*1-2H3;1H4;/q2*-1;;;;;.
What are the key properties of methane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium?
methane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium has a molecular weight of 471.52 g/mol, XLogP of 6.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methoxybenzene;methoxymethane;methylsulfanylmethane;propane;yttrium is sourced from PubChem (CID 159516618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).