1-(4-propan-2-yloxybutoxy)pentane

C12H26O2 — CID 23119093

IUPAC1-(4-propan-2-yloxybutoxy)pentane
SMILESCCCCCOCCCCOC(C)C
InChIInChI=1S/C12H26O2/c1-4-5-6-9-13-10-7-8-11-14-12(2)3/h12H,4-11H2,1-3H3
InChIKeyKXXTZTNLBJXHJD-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.40
Rot. Bonds10

About 1-(4-propan-2-yloxybutoxy)pentane

1-(4-propan-2-yloxybutoxy)pentane (PubChem CID 23119093) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-(4-propan-2-yloxybutoxy)pentane.

Molecular Properties

Compound Name1-(4-propan-2-yloxybutoxy)pentane
PubChem CID23119093
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1-(4-propan-2-yloxybutoxy)pentane
SMILESCCCCCOCCCCOC(C)C
InChIInChI=1S/C12H26O2/c1-4-5-6-9-13-10-7-8-11-14-12(2)3/h12H,4-11H2,1-3H3
InChIKeyKXXTZTNLBJXHJD-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.40
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 1-(4-propan-2-yloxybutoxy)pentane?
The IUPAC name of 1-(4-propan-2-yloxybutoxy)pentane (CID 23119093) is 1-(4-propan-2-yloxybutoxy)pentane.
What is the SMILES notation for 1-(4-propan-2-yloxybutoxy)pentane?
The canonical SMILES for 1-(4-propan-2-yloxybutoxy)pentane is CCCCCOCCCCOC(C)C.
What is the InChIKey of 1-(4-propan-2-yloxybutoxy)pentane?
The InChIKey is KXXTZTNLBJXHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-4-5-6-9-13-10-7-8-11-14-12(2)3/h12H,4-11H2,1-3H3.
What are the key properties of 1-(4-propan-2-yloxybutoxy)pentane?
1-(4-propan-2-yloxybutoxy)pentane has a molecular weight of 202.34 g/mol, XLogP of 3.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxybutoxy)pentane is sourced from PubChem (CID 23119093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).