1,11-dioxacycloicosane-2,12-dione

C18H32O4 — CID 15642894

IUPAC1,11-dioxacycloicosane-2,12-dione
SMILESO=C1CCCCCCCCOC(=O)CCCCCCCCO1
InChIInChI=1S/C18H32O4/c19-17-13-9-5-1-3-7-11-15-21-18(20)14-10-6-2-4-8-12-16-22-17/h1-16H2
InChIKeyKDZSXENKORTDQS-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.55
Rot. Bonds

About 1,11-dioxacycloicosane-2,12-dione

1,11-dioxacycloicosane-2,12-dione (PubChem CID 15642894) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 1,11-dioxacycloicosane-2,12-dione.

Molecular Properties

Compound Name1,11-dioxacycloicosane-2,12-dione
PubChem CID15642894
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name1,11-dioxacycloicosane-2,12-dione
SMILESO=C1CCCCCCCCOC(=O)CCCCCCCCO1
InChIInChI=1S/C18H32O4/c19-17-13-9-5-1-3-7-11-15-21-18(20)14-10-6-2-4-8-12-16-22-17/h1-16H2
InChIKeyKDZSXENKORTDQS-UHFFFAOYSA-N
XLogP4.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,11-dioxacycloicosane-2,12-dione 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

1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
1,6-dioxacyclopentadecane-7,15-dione;1,6-dioxecane-2,5-dione
CID 175398471
1,8,17-trioxacyclopentacosane-2,7-dione
CID 150130718
formonitrile;oxepan-2-one
CID 174857419
1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone
CID 12581605
1,6-dioxacyclohexacosane-2,5-dione
CID 121270960
1,6-dioxacyclohexadecane-2,5-dione
CID 22483454
1,5-dioxacycloheptadecan-6-one
CID 101379829
aziridine;oxepan-2-one
CID 170852282
oxepan-2-one;silyloxysilane
CID 173274127
bis(1,6-dioxacyclododecane-7,12-dione);1,4-dioxecane-5,10-dione;ethene
CID 159713832

Frequently Asked Questions

What is the IUPAC name of 1,11-dioxacycloicosane-2,12-dione?
The IUPAC name of 1,11-dioxacycloicosane-2,12-dione (CID 15642894) is 1,11-dioxacycloicosane-2,12-dione.
What is the SMILES notation for 1,11-dioxacycloicosane-2,12-dione?
The canonical SMILES for 1,11-dioxacycloicosane-2,12-dione is O=C1CCCCCCCCOC(=O)CCCCCCCCO1.
What is the InChIKey of 1,11-dioxacycloicosane-2,12-dione?
The InChIKey is KDZSXENKORTDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4/c19-17-13-9-5-1-3-7-11-15-21-18(20)14-10-6-2-4-8-12-16-22-17/h1-16H2.
What are the key properties of 1,11-dioxacycloicosane-2,12-dione?
1,11-dioxacycloicosane-2,12-dione has a molecular weight of 312.45 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dioxacycloicosane-2,12-dione is sourced from PubChem (CID 15642894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).