propan-2-yl 5-(oxan-2-yloxy)pentanoate

C13H24O4 — CID 14214408

IUPACpropan-2-yl 5-(oxan-2-yloxy)pentanoate
SMILESCC(C)OC(=O)CCCCOC1CCCCO1
InChIInChI=1S/C13H24O4/c1-11(2)17-12(14)7-3-5-9-15-13-8-4-6-10-16-13/h11,13H,3-10H2,1-2H3
InChIKeyPISRPTQPAHALBV-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.65
Rot. Bonds7

About propan-2-yl 5-(oxan-2-yloxy)pentanoate

propan-2-yl 5-(oxan-2-yloxy)pentanoate (PubChem CID 14214408) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is propan-2-yl 5-(oxan-2-yloxy)pentanoate.

Molecular Properties

Compound Namepropan-2-yl 5-(oxan-2-yloxy)pentanoate
PubChem CID14214408
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Namepropan-2-yl 5-(oxan-2-yloxy)pentanoate
SMILESCC(C)OC(=O)CCCCOC1CCCCO1
InChIInChI=1S/C13H24O4/c1-11(2)17-12(14)7-3-5-9-15-13-8-4-6-10-16-13/h11,13H,3-10H2,1-2H3
InChIKeyPISRPTQPAHALBV-UHFFFAOYSA-N
XLogP2.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 propan-2-yl 5-(oxan-2-yloxy)pentanoate?
The IUPAC name of propan-2-yl 5-(oxan-2-yloxy)pentanoate (CID 14214408) is propan-2-yl 5-(oxan-2-yloxy)pentanoate.
What is the SMILES notation for propan-2-yl 5-(oxan-2-yloxy)pentanoate?
The canonical SMILES for propan-2-yl 5-(oxan-2-yloxy)pentanoate is CC(C)OC(=O)CCCCOC1CCCCO1.
What is the InChIKey of propan-2-yl 5-(oxan-2-yloxy)pentanoate?
The InChIKey is PISRPTQPAHALBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-11(2)17-12(14)7-3-5-9-15-13-8-4-6-10-16-13/h11,13H,3-10H2,1-2H3.
What are the key properties of propan-2-yl 5-(oxan-2-yloxy)pentanoate?
propan-2-yl 5-(oxan-2-yloxy)pentanoate has a molecular weight of 244.33 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-(oxan-2-yloxy)pentanoate is sourced from PubChem (CID 14214408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).