methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane

C22H52O3 — CID 161045370

IUPACmethane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane
SMILESC.C.COCC(C)CCC(C)C.COCCOCC(C)CCC(C)C
InChIInChI=1S/C11H24O2.C9H20O.2CH4/c1-10(2)5-6-11(3)9-13-8-7-12-4;1-8(2)5-6-9(3)7-10-4;;/h10-11H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;2*1H4
InChIKeyUBKWZUQHJBWIAD-UHFFFAOYSA-N
MW364.66 g/mol
LogP6.70
Rot. Bonds13

About methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane

methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane (PubChem CID 161045370) has the molecular formula C22H52O3 and a molecular weight of 364.66 g/mol. Its IUPAC name is methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane.

Molecular Properties

Compound Namemethane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane
PubChem CID161045370
Molecular FormulaC22H52O3
Molecular Weight364.66 g/mol
Exact Mass364.39
IUPAC Namemethane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane
SMILESC.C.COCC(C)CCC(C)C.COCCOCC(C)CCC(C)C
InChIInChI=1S/C11H24O2.C9H20O.2CH4/c1-10(2)5-6-11(3)9-13-8-7-12-4;1-8(2)5-6-9(3)7-10-4;;/h10-11H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;2*1H4
InChIKeyUBKWZUQHJBWIAD-UHFFFAOYSA-N
XLogP6.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane
CID 104561148
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
methane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane
CID 158287890
1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane
CID 129036094
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane
CID 158254668
methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane
CID 157087809
5-bromo-1-methoxy-2-methylhexane
CID 64508480
1,11-dimethoxy-2-methylundecane
CID 118982395
(2R)-1-(methoxymethoxy)-2,6-dimethylheptane
CID 23636467
1-(2-methoxyethoxymethoxy)-4-methylpentane
CID 157079781
2-(2-methoxyethoxymethoxy)-6-methylheptane
CID 12653649
1-methoxy-4,8-dimethylnonane
CID 90974533

Frequently Asked Questions

What is the IUPAC name of methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane?
The IUPAC name of methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane (CID 161045370) is methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane.
What is the SMILES notation for methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane?
The canonical SMILES for methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane is C.C.COCC(C)CCC(C)C.COCCOCC(C)CCC(C)C.
What is the InChIKey of methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane?
The InChIKey is UBKWZUQHJBWIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2.C9H20O.2CH4/c1-10(2)5-6-11(3)9-13-8-7-12-4;1-8(2)5-6-9(3)7-10-4;;/h10-11H,5-9H2,1-4H3;8-9H,5-7H2,1-4H3;2*1H4.
What are the key properties of methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane?
methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane has a molecular weight of 364.66 g/mol, XLogP of 6.70, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane is sourced from PubChem (CID 161045370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).