ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene

C21H44O3 — CID 159741657

IUPACethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene
SMILESC.C.CC.CCC(C)(C)c1ccccc1.COCCOC(C)OC
InChIInChI=1S/C11H16.C6H14O3.C2H6.2CH4/c1-4-11(2,3)10-8-6-5-7-9-10;1-6(8-3)9-5-4-7-2;1-2;;/h5-9H,4H2,1-3H3;6H,4-5H2,1-3H3;1-2H3;2*1H4
InChIKeyNCNOFCIECDCAMS-UHFFFAOYSA-N
MW344.58 g/mol
LogP6.31
Rot. Bonds7

About ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene

ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene (PubChem CID 159741657) has the molecular formula C21H44O3 and a molecular weight of 344.58 g/mol. Its IUPAC name is ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene.

Molecular Properties

Compound Nameethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene
PubChem CID159741657
Molecular FormulaC21H44O3
Molecular Weight344.58 g/mol
Exact Mass344.33
IUPAC Nameethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene
SMILESC.C.CC.CCC(C)(C)c1ccccc1.COCCOC(C)OC
InChIInChI=1S/C11H16.C6H14O3.C2H6.2CH4/c1-4-11(2,3)10-8-6-5-7-9-10;1-6(8-3)9-5-4-7-2;1-2;;/h5-9H,4H2,1-3H3;6H,4-5H2,1-3H3;1-2H3;2*1H4
InChIKeyNCNOFCIECDCAMS-UHFFFAOYSA-N
XLogP6.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene?
The IUPAC name of ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene (CID 159741657) is ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene.
What is the SMILES notation for ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene?
The canonical SMILES for ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene is C.C.CC.CCC(C)(C)c1ccccc1.COCCOC(C)OC.
What is the InChIKey of ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene?
The InChIKey is NCNOFCIECDCAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C6H14O3.C2H6.2CH4/c1-4-11(2,3)10-8-6-5-7-9-10;1-6(8-3)9-5-4-7-2;1-2;;/h5-9H,4H2,1-3H3;6H,4-5H2,1-3H3;1-2H3;2*1H4.
What are the key properties of ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene?
ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene has a molecular weight of 344.58 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-methoxy-1-(2-methoxyethoxy)ethane;2-methylbutan-2-ylbenzene is sourced from PubChem (CID 159741657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).