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

C13H28O2 — CID 123800314

IUPAC2-butoxy-2-methyl-4-propan-2-yloxypentane
SMILESCCCCOC(C)(C)CC(C)OC(C)C
InChIInChI=1S/C13H28O2/c1-7-8-9-14-13(5,6)10-12(4)15-11(2)3/h11-12H,7-10H2,1-6H3
InChIKeyQKQREDMKFYXHKW-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.79
Rot. Bonds8

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

2-butoxy-2-methyl-4-propan-2-yloxypentane (PubChem CID 123800314) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 2-butoxy-2-methyl-4-propan-2-yloxypentane.

Molecular Properties

Compound Name2-butoxy-2-methyl-4-propan-2-yloxypentane
PubChem CID123800314
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name2-butoxy-2-methyl-4-propan-2-yloxypentane
SMILESCCCCOC(C)(C)CC(C)OC(C)C
InChIInChI=1S/C13H28O2/c1-7-8-9-14-13(5,6)10-12(4)15-11(2)3/h11-12H,7-10H2,1-6H3
InChIKeyQKQREDMKFYXHKW-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.79
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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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-2-methyl-4-propan-2-yloxypentane?
The IUPAC name of 2-butoxy-2-methyl-4-propan-2-yloxypentane (CID 123800314) is 2-butoxy-2-methyl-4-propan-2-yloxypentane.
What is the SMILES notation for 2-butoxy-2-methyl-4-propan-2-yloxypentane?
The canonical SMILES for 2-butoxy-2-methyl-4-propan-2-yloxypentane is CCCCOC(C)(C)CC(C)OC(C)C.
What is the InChIKey of 2-butoxy-2-methyl-4-propan-2-yloxypentane?
The InChIKey is QKQREDMKFYXHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-7-8-9-14-13(5,6)10-12(4)15-11(2)3/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-butoxy-2-methyl-4-propan-2-yloxypentane?
2-butoxy-2-methyl-4-propan-2-yloxypentane has a molecular weight of 216.36 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-2-methyl-4-propan-2-yloxypentane is sourced from PubChem (CID 123800314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).