2-[di(pentan-2-yloxy)methoxy]pentane

C16H34O3 — CID 19428773

IUPAC2-[di(pentan-2-yloxy)methoxy]pentane
SMILESCCCC(C)OC(OC(C)CCC)OC(C)CCC
InChIInChI=1S/C16H34O3/c1-7-10-13(4)17-16(18-14(5)11-8-2)19-15(6)12-9-3/h13-16H,7-12H2,1-6H3
InChIKeyYMFSTZGPRPMBIL-UHFFFAOYSA-N
MW274.44 g/mol
LogP4.89
Rot. Bonds12

About 2-[di(pentan-2-yloxy)methoxy]pentane

2-[di(pentan-2-yloxy)methoxy]pentane (PubChem CID 19428773) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 2-[di(pentan-2-yloxy)methoxy]pentane.

Molecular Properties

Compound Name2-[di(pentan-2-yloxy)methoxy]pentane
PubChem CID19428773
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name2-[di(pentan-2-yloxy)methoxy]pentane
SMILESCCCC(C)OC(OC(C)CCC)OC(C)CCC
InChIInChI=1S/C16H34O3/c1-7-10-13(4)17-16(18-14(5)11-8-2)19-15(6)12-9-3/h13-16H,7-12H2,1-6H3
InChIKeyYMFSTZGPRPMBIL-UHFFFAOYSA-N
XLogP4.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[di(pentan-2-yloxy)methoxy]pentane?
The IUPAC name of 2-[di(pentan-2-yloxy)methoxy]pentane (CID 19428773) is 2-[di(pentan-2-yloxy)methoxy]pentane.
What is the SMILES notation for 2-[di(pentan-2-yloxy)methoxy]pentane?
The canonical SMILES for 2-[di(pentan-2-yloxy)methoxy]pentane is CCCC(C)OC(OC(C)CCC)OC(C)CCC.
What is the InChIKey of 2-[di(pentan-2-yloxy)methoxy]pentane?
The InChIKey is YMFSTZGPRPMBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-7-10-13(4)17-16(18-14(5)11-8-2)19-15(6)12-9-3/h13-16H,7-12H2,1-6H3.
What are the key properties of 2-[di(pentan-2-yloxy)methoxy]pentane?
2-[di(pentan-2-yloxy)methoxy]pentane has a molecular weight of 274.44 g/mol, XLogP of 4.89, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(pentan-2-yloxy)methoxy]pentane is sourced from PubChem (CID 19428773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).