5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one

C11H20O3 — CID 103343868

IUPAC5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one
SMILESCC(=O)C(CCO)CC1CCCCO1
InChIInChI=1S/C11H20O3/c1-9(13)10(5-6-12)8-11-4-2-3-7-14-11/h10-12H,2-8H2,1H3
InChIKeyGGWXMHABAPYNQV-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.53
Rot. Bonds5

About 5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one

5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one (PubChem CID 103343868) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one.

Molecular Properties

Compound Name5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one
PubChem CID103343868
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one
SMILESCC(=O)C(CCO)CC1CCCCO1
InChIInChI=1S/C11H20O3/c1-9(13)10(5-6-12)8-11-4-2-3-7-14-11/h10-12H,2-8H2,1H3
InChIKeyGGWXMHABAPYNQV-UHFFFAOYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one?
The IUPAC name of 5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one (CID 103343868) is 5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one.
What is the SMILES notation for 5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one?
The canonical SMILES for 5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one is CC(=O)C(CCO)CC1CCCCO1.
What is the InChIKey of 5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one?
The InChIKey is GGWXMHABAPYNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(13)10(5-6-12)8-11-4-2-3-7-14-11/h10-12H,2-8H2,1H3.
What are the key properties of 5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one?
5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one has a molecular weight of 200.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(oxan-2-ylmethyl)pentan-2-one is sourced from PubChem (CID 103343868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).