1-(2,3-dimethylbutoxy)-4-methylpentane

C12H26O — CID 157134146

IUPAC1-(2,3-dimethylbutoxy)-4-methylpentane
SMILESCC(C)CCCOCC(C)C(C)C
InChIInChI=1S/C12H26O/c1-10(2)7-6-8-13-9-12(5)11(3)4/h10-12H,6-9H2,1-5H3
InChIKeyCYOAGRHLKNPCJJ-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.73
Rot. Bonds7

About 1-(2,3-dimethylbutoxy)-4-methylpentane

1-(2,3-dimethylbutoxy)-4-methylpentane (PubChem CID 157134146) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-(2,3-dimethylbutoxy)-4-methylpentane.

Molecular Properties

Compound Name1-(2,3-dimethylbutoxy)-4-methylpentane
PubChem CID157134146
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name1-(2,3-dimethylbutoxy)-4-methylpentane
SMILESCC(C)CCCOCC(C)C(C)C
InChIInChI=1S/C12H26O/c1-10(2)7-6-8-13-9-12(5)11(3)4/h10-12H,6-9H2,1-5H3
InChIKeyCYOAGRHLKNPCJJ-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.73
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

3,4-dimethyl-1-(2-methylpropoxy)pentane;4-methyl-1-(2-methylpropoxy)pentane
CID 159973064
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane
CID 158163222
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
1-cyclopropyl-2-(4-methylpentoxy)ethanamine
CID 63906046
9-(4-methylpentoxymethyl)nonadecane
CID 59523007
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
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutoxy)-4-methylpentane?
The IUPAC name of 1-(2,3-dimethylbutoxy)-4-methylpentane (CID 157134146) is 1-(2,3-dimethylbutoxy)-4-methylpentane.
What is the SMILES notation for 1-(2,3-dimethylbutoxy)-4-methylpentane?
The canonical SMILES for 1-(2,3-dimethylbutoxy)-4-methylpentane is CC(C)CCCOCC(C)C(C)C.
What is the InChIKey of 1-(2,3-dimethylbutoxy)-4-methylpentane?
The InChIKey is CYOAGRHLKNPCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-10(2)7-6-8-13-9-12(5)11(3)4/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-(2,3-dimethylbutoxy)-4-methylpentane?
1-(2,3-dimethylbutoxy)-4-methylpentane has a molecular weight of 186.34 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutoxy)-4-methylpentane is sourced from PubChem (CID 157134146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).