3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one

C9H16O4 — CID 174677704

IUPAC3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCC(=O)C(O)CCC1(C)OCCO1
InChIInChI=1S/C9H16O4/c1-7(10)8(11)3-4-9(2)12-5-6-13-9/h8,11H,3-6H2,1-2H3
InChIKeyNHSXOTGFRAJIMR-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.48
Rot. Bonds4

About 3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one

3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one (PubChem CID 174677704) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one
PubChem CID174677704
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one
SMILESCC(=O)C(O)CCC1(C)OCCO1
InChIInChI=1S/C9H16O4/c1-7(10)8(11)3-4-9(2)12-5-6-13-9/h8,11H,3-6H2,1-2H3
InChIKeyNHSXOTGFRAJIMR-UHFFFAOYSA-N
XLogP0.48
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one?
The IUPAC name of 3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one (CID 174677704) is 3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one.
What is the SMILES notation for 3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one?
The canonical SMILES for 3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one is CC(=O)C(O)CCC1(C)OCCO1.
What is the InChIKey of 3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one?
The InChIKey is NHSXOTGFRAJIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-7(10)8(11)3-4-9(2)12-5-6-13-9/h8,11H,3-6H2,1-2H3.
What are the key properties of 3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one?
3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one has a molecular weight of 188.22 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one is sourced from PubChem (CID 174677704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).