(4R)-4-hydroxyhexan-2-one;propanal;propan-2-one

C12H24O4 — CID 158804070

IUPAC(4R)-4-hydroxyhexan-2-one;propanal;propan-2-one
SMILESCC(C)=O.CCC=O.CC[C@@H](O)CC(C)=O
InChIInChI=1S/C6H12O2.2C3H6O/c1-3-6(8)4-5(2)7;1-3(2)4;1-2-3-4/h6,8H,3-4H2,1-2H3;1-2H3;3H,2H2,1H3/t6-;;/m1../s1
InChIKeyITVRWHXKQHRXCC-QYCVXMPOSA-N
MW232.32 g/mol
LogP1.93
Rot. Bonds4

About (4R)-4-hydroxyhexan-2-one;propanal;propan-2-one

(4R)-4-hydroxyhexan-2-one;propanal;propan-2-one (PubChem CID 158804070) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is (4R)-4-hydroxyhexan-2-one;propanal;propan-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxyhexan-2-one;propanal;propan-2-one
PubChem CID158804070
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name(4R)-4-hydroxyhexan-2-one;propanal;propan-2-one
SMILESCC(C)=O.CCC=O.CC[C@@H](O)CC(C)=O
InChIInChI=1S/C6H12O2.2C3H6O/c1-3-6(8)4-5(2)7;1-3(2)4;1-2-3-4/h6,8H,3-4H2,1-2H3;1-2H3;3H,2H2,1H3/t6-;;/m1../s1
InChIKeyITVRWHXKQHRXCC-QYCVXMPOSA-N
XLogP1.93
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (4R)-4-hydroxyhexan-2-one;propanal;propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,6R)-4,6-dihydroxyoctan-2-one
CID 58846635
(4R,6R)-4,6-dihydroxyoctan-2-one;(6R)-6-hydroxyoctane-2,4-dione;propan-2-ol;propan-2-one
CID 159670447
butan-2-one;pentan-3-ol
CID 159181592
(Z)-4,6-dihydroxyoct-3-en-2-one
CID 23542538
4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one
CID 87707653
acetic acid;propanal;hydrate
CID 160743945
(Z,3S)-5-methylhept-5-en-3-ol
CID 97304128
3-hydroxypentanoic acid;methanol
CID 174973747
3-hydroxypentanal;methanamine
CID 174648159
magnesium bis(3-hydroxypentanoate)
CID 164775085
3-hydroxypentanamide;hydrochloride
CID 174591125
1,1-dichloropropane;propan-2-one
CID 174776719

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxyhexan-2-one;propanal;propan-2-one?
The IUPAC name of (4R)-4-hydroxyhexan-2-one;propanal;propan-2-one (CID 158804070) is (4R)-4-hydroxyhexan-2-one;propanal;propan-2-one.
What is the SMILES notation for (4R)-4-hydroxyhexan-2-one;propanal;propan-2-one?
The canonical SMILES for (4R)-4-hydroxyhexan-2-one;propanal;propan-2-one is CC(C)=O.CCC=O.CC[C@@H](O)CC(C)=O.
What is the InChIKey of (4R)-4-hydroxyhexan-2-one;propanal;propan-2-one?
The InChIKey is ITVRWHXKQHRXCC-QYCVXMPOSA-N. The full InChI is InChI=1S/C6H12O2.2C3H6O/c1-3-6(8)4-5(2)7;1-3(2)4;1-2-3-4/h6,8H,3-4H2,1-2H3;1-2H3;3H,2H2,1H3/t6-;;/m1../s1.
What are the key properties of (4R)-4-hydroxyhexan-2-one;propanal;propan-2-one?
(4R)-4-hydroxyhexan-2-one;propanal;propan-2-one has a molecular weight of 232.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxyhexan-2-one;propanal;propan-2-one is sourced from PubChem (CID 158804070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).