4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one

C10H16O4 — CID 162873995

IUPAC4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
SMILESCC1CC(O)C=CC(O)CCC(=O)O1
InChIInChI=1S/C10H16O4/c1-7-6-9(12)3-2-8(11)4-5-10(13)14-7/h2-3,7-9,11-12H,4-6H2,1H3
InChIKeyDKWZZACTRIWLJJ-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.38
Rot. Bonds

About 4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one

4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one (PubChem CID 162873995) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one.

Molecular Properties

Compound Name4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
PubChem CID162873995
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
SMILESCC1CC(O)C=CC(O)CCC(=O)O1
InChIInChI=1S/C10H16O4/c1-7-6-9(12)3-2-8(11)4-5-10(13)14-7/h2-3,7-9,11-12H,4-6H2,1H3
InChIKeyDKWZZACTRIWLJJ-UHFFFAOYSA-N
XLogP0.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-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

Izfxfvsoqmezkb-mnfmdyebsa-
CID 10751829
(5E,7Z,10Z,13Z,16Z,19Z)-4-Hydroxydocosa-5,7,10,13,16,19-Hexaenoic Acid
CID 14429109
(4S,5Z,7E,9E,11R,13Z,15E,17R,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoic acid
CID 77845952
Resolvin D3
CID 71665428
Npc186516
CID 6507065
Herbarumin Iii
CID 643678
Stagonolide B
CID 24770095
Stagonolide C
CID 24770096
(1R,2S,7S,8E,10S)-7-hydroxy-2-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-4-one
CID 24770097
(2R,3R,4Z,7S)-3,7-dihydroxy-2-methyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 25156436
(5Z,7Z,10Z,13Z,16Z,19Z)-4-Hydroxy-5,7,10,13,16,19-docosahexaenoic acid
CID 131769808
Resolvin D6
CID 25073193

Frequently Asked Questions

What is the IUPAC name of 4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one?
The IUPAC name of 4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one (CID 162873995) is 4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one.
What is the SMILES notation for 4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one?
The canonical SMILES for 4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one is CC1CC(O)C=CC(O)CCC(=O)O1.
What is the InChIKey of 4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one?
The InChIKey is DKWZZACTRIWLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-7-6-9(12)3-2-8(11)4-5-10(13)14-7/h2-3,7-9,11-12H,4-6H2,1H3.
What are the key properties of 4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one?
4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one has a molecular weight of 200.23 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one is sourced from PubChem (CID 162873995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).