(4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one

C10H16O4 — CID 156582799

IUPAC(4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one
SMILESCCCCC(=O)C1C(=O)OC[C@H]1CO
InChIInChI=1S/C10H16O4/c1-2-3-4-8(12)9-7(5-11)6-14-10(9)13/h7,9,11H,2-6H2,1H3/t7-,9?/m1/s1
InChIKeyILTWZTBAHIJICW-YOXFSPIKSA-N
MW200.23 g/mol
LogP0.53
Rot. Bonds5

About (4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one

(4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one (PubChem CID 156582799) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one.

Molecular Properties

Compound Name(4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one
PubChem CID156582799
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one
SMILESCCCCC(=O)C1C(=O)OC[C@H]1CO
InChIInChI=1S/C10H16O4/c1-2-3-4-8(12)9-7(5-11)6-14-10(9)13/h7,9,11H,2-6H2,1H3/t7-,9?/m1/s1
InChIKeyILTWZTBAHIJICW-YOXFSPIKSA-N
XLogP0.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one?
The IUPAC name of (4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one (CID 156582799) is (4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one.
What is the SMILES notation for (4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one?
The canonical SMILES for (4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one is CCCCC(=O)C1C(=O)OC[C@H]1CO.
What is the InChIKey of (4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one?
The InChIKey is ILTWZTBAHIJICW-YOXFSPIKSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-3-4-8(12)9-7(5-11)6-14-10(9)13/h7,9,11H,2-6H2,1H3/t7-,9?/m1/s1.
What are the key properties of (4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one?
(4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one has a molecular weight of 200.23 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(hydroxymethyl)-3-pentanoyloxolan-2-one is sourced from PubChem (CID 156582799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).