anisole;ethane;methane;2-methylpropane

C23H42O2 — CID 159356491

IUPACanisole;ethane;methane;2-methylpropane
SMILESC.CC.CC.CC(C)C.COc1ccccc1.COc1ccccc1
InChIInChI=1S/2C7H8O.C4H10.2C2H6.CH4/c2*1-8-7-5-3-2-4-6-7;1-4(2)3;2*1-2;/h2*2-6H,1H3;4H,1-3H3;2*1-2H3;1H4
InChIKeyLHZHEQDKBCFQOU-UHFFFAOYSA-N
MW350.59 g/mol
LogP7.74
Rot. Bonds2

About anisole;ethane;methane;2-methylpropane

anisole;ethane;methane;2-methylpropane (PubChem CID 159356491) has the molecular formula C23H42O2 and a molecular weight of 350.59 g/mol. Its IUPAC name is anisole;ethane;methane;2-methylpropane.

Molecular Properties

Compound Nameanisole;ethane;methane;2-methylpropane
PubChem CID159356491
Molecular FormulaC23H42O2
Molecular Weight350.59 g/mol
Exact Mass350.32
IUPAC Nameanisole;ethane;methane;2-methylpropane
SMILESC.CC.CC.CC(C)C.COc1ccccc1.COc1ccccc1
InChIInChI=1S/2C7H8O.C4H10.2C2H6.CH4/c2*1-8-7-5-3-2-4-6-7;1-4(2)3;2*1-2;/h2*2-6H,1H3;4H,1-3H3;2*1-2H3;1H4
InChIKeyLHZHEQDKBCFQOU-UHFFFAOYSA-N
XLogP7.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of anisole;ethane;methane;2-methylpropane?
The IUPAC name of anisole;ethane;methane;2-methylpropane (CID 159356491) is anisole;ethane;methane;2-methylpropane.
What is the SMILES notation for anisole;ethane;methane;2-methylpropane?
The canonical SMILES for anisole;ethane;methane;2-methylpropane is C.CC.CC.CC(C)C.COc1ccccc1.COc1ccccc1.
What is the InChIKey of anisole;ethane;methane;2-methylpropane?
The InChIKey is LHZHEQDKBCFQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O.C4H10.2C2H6.CH4/c2*1-8-7-5-3-2-4-6-7;1-4(2)3;2*1-2;/h2*2-6H,1H3;4H,1-3H3;2*1-2H3;1H4.
What are the key properties of anisole;ethane;methane;2-methylpropane?
anisole;ethane;methane;2-methylpropane has a molecular weight of 350.59 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;ethane;methane;2-methylpropane is sourced from PubChem (CID 159356491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).