2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane

C22H52O — CID 158163222

IUPAC2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane
SMILESC.CC(C)C.CC(C)CC(C)C.CC(C)CCCOCC(C)C
InChIInChI=1S/C10H22O.C7H16.C4H10.CH4/c1-9(2)6-5-7-11-8-10(3)4;1-6(2)5-7(3)4;1-4(2)3;/h9-10H,5-8H2,1-4H3;6-7H,5H2,1-4H3;4H,1-3H3;1H4
InChIKeyFWNKSNLWQVVMGP-UHFFFAOYSA-N
MW332.66 g/mol
LogP8.08
Rot. Bonds8

About 2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane

2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane (PubChem CID 158163222) has the molecular formula C22H52O and a molecular weight of 332.66 g/mol. Its IUPAC name is 2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane.

Molecular Properties

Compound Name2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane
PubChem CID158163222
Molecular FormulaC22H52O
Molecular Weight332.66 g/mol
Exact Mass332.40
IUPAC Name2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane
SMILESC.CC(C)C.CC(C)CC(C)C.CC(C)CCCOCC(C)C
InChIInChI=1S/C10H22O.C7H16.C4H10.CH4/c1-9(2)6-5-7-11-8-10(3)4;1-6(2)5-7(3)4;1-4(2)3;/h9-10H,5-8H2,1-4H3;6-7H,5H2,1-4H3;4H,1-3H3;1H4
InChIKeyFWNKSNLWQVVMGP-UHFFFAOYSA-N
XLogP8.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.66
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-1-(2-methylpropoxy)octane
CID 23222552
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine
CID 106454538
3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane
CID 159973064
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
1-(2,3-dimethylbutoxy)-4-methylpentane
CID 157134146
2-methyl-6-(2-methylpropoxy)hexan-3-amine
CID 106454407
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane?
The IUPAC name of 2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane (CID 158163222) is 2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane.
What is the SMILES notation for 2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane?
The canonical SMILES for 2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane is C.CC(C)C.CC(C)CC(C)C.CC(C)CCCOCC(C)C.
What is the InChIKey of 2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane?
The InChIKey is FWNKSNLWQVVMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C7H16.C4H10.CH4/c1-9(2)6-5-7-11-8-10(3)4;1-6(2)5-7(3)4;1-4(2)3;/h9-10H,5-8H2,1-4H3;6-7H,5H2,1-4H3;4H,1-3H3;1H4.
What are the key properties of 2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane?
2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane has a molecular weight of 332.66 g/mol, XLogP of 8.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane is sourced from PubChem (CID 158163222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).