(3R)-3-hydroxypentan-2-one

C5H10O2 — CID 12561290

IUPAC(3R)-3-hydroxypentan-2-one
SMILESCC[C@@H](O)C(C)=O
InChIInChI=1S/C5H10O2/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3/t5-/m1/s1
InChIKeyHDKKRASBPHFULQ-RXMQYKEDSA-N
MW102.13 g/mol
LogP0.35
Rot. Bonds2

About (3R)-3-hydroxypentan-2-one

(3R)-3-hydroxypentan-2-one (PubChem CID 12561290) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is (3R)-3-hydroxypentan-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxypentan-2-one
PubChem CID12561290
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name(3R)-3-hydroxypentan-2-one
SMILESCC[C@@H](O)C(C)=O
InChIInChI=1S/C5H10O2/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3/t5-/m1/s1
InChIKeyHDKKRASBPHFULQ-RXMQYKEDSA-N
XLogP0.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxypentan-2-one?
The IUPAC name of (3R)-3-hydroxypentan-2-one (CID 12561290) is (3R)-3-hydroxypentan-2-one.
What is the SMILES notation for (3R)-3-hydroxypentan-2-one?
The canonical SMILES for (3R)-3-hydroxypentan-2-one is CC[C@@H](O)C(C)=O.
What is the InChIKey of (3R)-3-hydroxypentan-2-one?
The InChIKey is HDKKRASBPHFULQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of (3R)-3-hydroxypentan-2-one?
(3R)-3-hydroxypentan-2-one has a molecular weight of 102.13 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxypentan-2-one is sourced from PubChem (CID 12561290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).