3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane

C21H46O2 — CID 159973064

IUPAC3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane
SMILESCC(C)CCCOCC(C)C.CC(C)COCCC(C)C(C)C
InChIInChI=1S/C11H24O.C10H22O/c1-9(2)8-12-7-6-11(5)10(3)4;1-9(2)6-5-7-11-8-10(3)4/h9-11H,6-8H2,1-5H3;9-10H,5-8H2,1-4H3
InChIKeyOEUOBGJTIXUBFD-UHFFFAOYSA-N
MW330.60 g/mol
LogP6.44
Rot. Bonds12

About 3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane

3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane (PubChem CID 159973064) has the molecular formula C21H46O2 and a molecular weight of 330.60 g/mol. Its IUPAC name is 3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane.

Molecular Properties

Compound Name3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane
PubChem CID159973064
Molecular FormulaC21H46O2
Molecular Weight330.60 g/mol
Exact Mass330.35
IUPAC Name3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane
SMILESCC(C)CCCOCC(C)C.CC(C)COCCC(C)C(C)C
InChIInChI=1S/C11H24O.C10H22O/c1-9(2)8-12-7-6-11(5)10(3)4;1-9(2)6-5-7-11-8-10(3)4/h9-11H,6-8H2,1-5H3;9-10H,5-8H2,1-4H3
InChIKeyOEUOBGJTIXUBFD-UHFFFAOYSA-N
XLogP6.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylbutoxy)-4-methylpentane
CID 157134146
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane
CID 158163222
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
4-chloro-5,5-dimethyl-1-(2-methylpropoxy)hexane
CID 106455986
2-methyl-6-(2-methylpropoxy)hexan-3-amine
CID 106454407
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
N,6-dimethyl-1-(2-methylpropoxy)heptan-4-amine
CID 106454538

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane?
The IUPAC name of 3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane (CID 159973064) is 3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane.
What is the SMILES notation for 3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane?
The canonical SMILES for 3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane is CC(C)CCCOCC(C)C.CC(C)COCCC(C)C(C)C.
What is the InChIKey of 3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane?
The InChIKey is OEUOBGJTIXUBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O.C10H22O/c1-9(2)8-12-7-6-11(5)10(3)4;1-9(2)6-5-7-11-8-10(3)4/h9-11H,6-8H2,1-5H3;9-10H,5-8H2,1-4H3.
What are the key properties of 3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane?
3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane has a molecular weight of 330.60 g/mol, XLogP of 6.44, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane is sourced from PubChem (CID 159973064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).