(5-hydroxyoxan-2-yl) pentanoate

C10H18O4 — CID 54509254

IUPAC(5-hydroxyoxan-2-yl) pentanoate
SMILESCCCCC(=O)OC1CCC(O)CO1
InChIInChI=1S/C10H18O4/c1-2-3-4-9(12)14-10-6-5-8(11)7-13-10/h8,10-11H,2-7H2,1H3
InChIKeyZBCJKNSQMYZBQX-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.22
Rot. Bonds4

About (5-hydroxyoxan-2-yl) pentanoate

(5-hydroxyoxan-2-yl) pentanoate (PubChem CID 54509254) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (5-hydroxyoxan-2-yl) pentanoate.

Molecular Properties

Compound Name(5-hydroxyoxan-2-yl) pentanoate
PubChem CID54509254
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(5-hydroxyoxan-2-yl) pentanoate
SMILESCCCCC(=O)OC1CCC(O)CO1
InChIInChI=1S/C10H18O4/c1-2-3-4-9(12)14-10-6-5-8(11)7-13-10/h8,10-11H,2-7H2,1H3
InChIKeyZBCJKNSQMYZBQX-UHFFFAOYSA-N
XLogP1.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxyoxan-2-yl) pentanoate?
The IUPAC name of (5-hydroxyoxan-2-yl) pentanoate (CID 54509254) is (5-hydroxyoxan-2-yl) pentanoate.
What is the SMILES notation for (5-hydroxyoxan-2-yl) pentanoate?
The canonical SMILES for (5-hydroxyoxan-2-yl) pentanoate is CCCCC(=O)OC1CCC(O)CO1.
What is the InChIKey of (5-hydroxyoxan-2-yl) pentanoate?
The InChIKey is ZBCJKNSQMYZBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-3-4-9(12)14-10-6-5-8(11)7-13-10/h8,10-11H,2-7H2,1H3.
What are the key properties of (5-hydroxyoxan-2-yl) pentanoate?
(5-hydroxyoxan-2-yl) pentanoate has a molecular weight of 202.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxyoxan-2-yl) pentanoate is sourced from PubChem (CID 54509254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).