2-(1-pentan-2-yloxyethoxy)pentane

C12H26O2 — CID 551264

IUPAC2-(1-pentan-2-yloxyethoxy)pentane
SMILESCCCC(C)OC(C)OC(C)CCC
InChIInChI=1S/C12H26O2/c1-6-8-10(3)13-12(5)14-11(4)9-7-2/h10-12H,6-9H2,1-5H3
InChIKeyOMCODQVOYRGCSJ-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.74
Rot. Bonds8

About 2-(1-pentan-2-yloxyethoxy)pentane

2-(1-pentan-2-yloxyethoxy)pentane (PubChem CID 551264) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-(1-pentan-2-yloxyethoxy)pentane.

Molecular Properties

Compound Name2-(1-pentan-2-yloxyethoxy)pentane
PubChem CID551264
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name2-(1-pentan-2-yloxyethoxy)pentane
SMILESCCCC(C)OC(C)OC(C)CCC
InChIInChI=1S/C12H26O2/c1-6-8-10(3)13-12(5)14-11(4)9-7-2/h10-12H,6-9H2,1-5H3
InChIKeyOMCODQVOYRGCSJ-UHFFFAOYSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pentan-2-yloxyethoxy)pentane?
The IUPAC name of 2-(1-pentan-2-yloxyethoxy)pentane (CID 551264) is 2-(1-pentan-2-yloxyethoxy)pentane.
What is the SMILES notation for 2-(1-pentan-2-yloxyethoxy)pentane?
The canonical SMILES for 2-(1-pentan-2-yloxyethoxy)pentane is CCCC(C)OC(C)OC(C)CCC.
What is the InChIKey of 2-(1-pentan-2-yloxyethoxy)pentane?
The InChIKey is OMCODQVOYRGCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-6-8-10(3)13-12(5)14-11(4)9-7-2/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-(1-pentan-2-yloxyethoxy)pentane?
2-(1-pentan-2-yloxyethoxy)pentane has a molecular weight of 202.34 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pentan-2-yloxyethoxy)pentane is sourced from PubChem (CID 551264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).