(4R)-4-(hydroxymethyl)-3-(4-methylpentanoyl)oxolan-2-one

C11H18O4 — CID 156582798

IUPAC(4R)-4-(hydroxymethyl)-3-(4-methylpentanoyl)oxolan-2-one
SMILESCC(C)CCC(=O)C1C(=O)OC[C@H]1CO
InChIInChI=1S/C11H18O4/c1-7(2)3-4-9(13)10-8(5-12)6-15-11(10)14/h7-8,10,12H,3-6H2,1-2H3/t8-,10?/m1/s1
InChIKeyGOADQMNYGCQTQJ-HNHGDDPOSA-N
MW214.26 g/mol
LogP0.77
Rot. Bonds5

About (4R)-4-(hydroxymethyl)-3-(4-methylpentanoyl)oxolan-2-one

(4R)-4-(hydroxymethyl)-3-(4-methylpentanoyl)oxolan-2-one (PubChem CID 156582798) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (4R)-4-(hydroxymethyl)-3-(4-methylpentanoyl)oxolan-2-one.

Molecular Properties

Compound Name(4R)-4-(hydroxymethyl)-3-(4-methylpentanoyl)oxolan-2-one
PubChem CID156582798
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(4R)-4-(hydroxymethyl)-3-(4-methylpentanoyl)oxolan-2-one
SMILESCC(C)CCC(=O)C1C(=O)OC[C@H]1CO
InChIInChI=1S/C11H18O4/c1-7(2)3-4-9(13)10-8(5-12)6-15-11(10)14/h7-8,10,12H,3-6H2,1-2H3/t8-,10?/m1/s1
InChIKeyGOADQMNYGCQTQJ-HNHGDDPOSA-N
XLogP0.77
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.77
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-(4-methylpentanoyl)oxolan-2-one?
The IUPAC name of (4R)-4-(hydroxymethyl)-3-(4-methylpentanoyl)oxolan-2-one (CID 156582798) is (4R)-4-(hydroxymethyl)-3-(4-methylpentanoyl)oxolan-2-one.
What is the SMILES notation for (4R)-4-(hydroxymethyl)-3-(4-methylpentanoyl)oxolan-2-one?
The canonical SMILES for (4R)-4-(hydroxymethyl)-3-(4-methylpentanoyl)oxolan-2-one is CC(C)CCC(=O)C1C(=O)OC[C@H]1CO.
What is the InChIKey of (4R)-4-(hydroxymethyl)-3-(4-methylpentanoyl)oxolan-2-one?
The InChIKey is GOADQMNYGCQTQJ-HNHGDDPOSA-N. The full InChI is InChI=1S/C11H18O4/c1-7(2)3-4-9(13)10-8(5-12)6-15-11(10)14/h7-8,10,12H,3-6H2,1-2H3/t8-,10?/m1/s1.
What are the key properties of (4R)-4-(hydroxymethyl)-3-(4-methylpentanoyl)oxolan-2-one?
(4R)-4-(hydroxymethyl)-3-(4-methylpentanoyl)oxolan-2-one has a molecular weight of 214.26 g/mol, XLogP of 0.77, 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-(4-methylpentanoyl)oxolan-2-one is sourced from PubChem (CID 156582798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).