1-butoxy-4-methyl-2-propan-2-yloxypentane

C13H28O2 — CID 138514678

IUPAC1-butoxy-4-methyl-2-propan-2-yloxypentane
SMILESCCCCOCC(CC(C)C)OC(C)C
InChIInChI=1S/C13H28O2/c1-6-7-8-14-10-13(9-11(2)3)15-12(4)5/h11-13H,6-10H2,1-5H3
InChIKeyBTBOUIMELOGAQW-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.64
Rot. Bonds9

About 1-butoxy-4-methyl-2-propan-2-yloxypentane

1-butoxy-4-methyl-2-propan-2-yloxypentane (PubChem CID 138514678) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 1-butoxy-4-methyl-2-propan-2-yloxypentane.

Molecular Properties

Compound Name1-butoxy-4-methyl-2-propan-2-yloxypentane
PubChem CID138514678
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name1-butoxy-4-methyl-2-propan-2-yloxypentane
SMILESCCCCOCC(CC(C)C)OC(C)C
InChIInChI=1S/C13H28O2/c1-6-7-8-14-10-13(9-11(2)3)15-12(4)5/h11-13H,6-10H2,1-5H3
InChIKeyBTBOUIMELOGAQW-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.64
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-propan-2-yloxypropoxy)octadecane
CID 144869865
1-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxypentane
CID 121420083
1,2-dibutoxyhexane
CID 19805858
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
(2S)-1-butoxypropan-2-ol
CID 54289557
1-(2-butoxybutoxy)-17-methyloctadecane
CID 126586639
1-butoxy-3-propan-2-yloxybutane
CID 173255179
1-(3-methoxy-2-propoxypropoxy)butane
CID 90999549
5-butoxy-4-methoxypentan-2-ol
CID 89084947
(2S)-1-butoxy-3-methoxy-2-methylpropane
CID 90383590

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-methyl-2-propan-2-yloxypentane?
The IUPAC name of 1-butoxy-4-methyl-2-propan-2-yloxypentane (CID 138514678) is 1-butoxy-4-methyl-2-propan-2-yloxypentane.
What is the SMILES notation for 1-butoxy-4-methyl-2-propan-2-yloxypentane?
The canonical SMILES for 1-butoxy-4-methyl-2-propan-2-yloxypentane is CCCCOCC(CC(C)C)OC(C)C.
What is the InChIKey of 1-butoxy-4-methyl-2-propan-2-yloxypentane?
The InChIKey is BTBOUIMELOGAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-6-7-8-14-10-13(9-11(2)3)15-12(4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-butoxy-4-methyl-2-propan-2-yloxypentane?
1-butoxy-4-methyl-2-propan-2-yloxypentane has a molecular weight of 216.36 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-methyl-2-propan-2-yloxypentane is sourced from PubChem (CID 138514678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).