1,3,8,10-tetraoxacyclotetradecane-2,9-dione

C10H16O6 — CID 67254769

IUPAC1,3,8,10-tetraoxacyclotetradecane-2,9-dione
SMILESO=C1OCCCCOC(=O)OCCCCO1
InChIInChI=1S/C10H16O6/c11-9-13-5-1-2-6-14-10(12)16-8-4-3-7-15-9/h1-8H2
InChIKeyKGBCZKSFVVEERO-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.87
Rot. Bonds

About 1,3,8,10-tetraoxacyclotetradecane-2,9-dione

1,3,8,10-tetraoxacyclotetradecane-2,9-dione (PubChem CID 67254769) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 1,3,8,10-tetraoxacyclotetradecane-2,9-dione.

Molecular Properties

Compound Name1,3,8,10-tetraoxacyclotetradecane-2,9-dione
PubChem CID67254769
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name1,3,8,10-tetraoxacyclotetradecane-2,9-dione
SMILESO=C1OCCCCOC(=O)OCCCCO1
InChIInChI=1S/C10H16O6/c11-9-13-5-1-2-6-14-10(12)16-8-4-3-7-15-9/h1-8H2
InChIKeyKGBCZKSFVVEERO-UHFFFAOYSA-N
XLogP1.87
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dioxacyclotetradecan-2-one
CID 22011560
1,3-dioxolan-2-one
CID 7303
1,3,7-trioxecan-2-one
CID 155605643
1,3-dioxacycloundecane-2,5-dione
CID 150660473
1,3-dioxepan-2-one;propane-1,2,3-triol
CID 175550093
1,6-dioxacyclotetracos-3-ene-2,5-dione
CID 154091712
bis(1,3-dioxan-2-one);bis(1,4-dioxan-2-one)
CID 160760292
1,3-dioxolan-2-one;ethane;propane
CID 91581016
1,3-dioxolan-2-one;methoxymethane;hydrochloride
CID 173350365
adamantane;1,3-dioxolan-2-one
CID 175094584
1,5-dioxacycloheptadecane-2,4-dione
CID 11708817
1,6-dioxecane-2,5-dione;1,4-dioxocane-5,8-dione
CID 174988163

Frequently Asked Questions

What is the IUPAC name of 1,3,8,10-tetraoxacyclotetradecane-2,9-dione?
The IUPAC name of 1,3,8,10-tetraoxacyclotetradecane-2,9-dione (CID 67254769) is 1,3,8,10-tetraoxacyclotetradecane-2,9-dione.
What is the SMILES notation for 1,3,8,10-tetraoxacyclotetradecane-2,9-dione?
The canonical SMILES for 1,3,8,10-tetraoxacyclotetradecane-2,9-dione is O=C1OCCCCOC(=O)OCCCCO1.
What is the InChIKey of 1,3,8,10-tetraoxacyclotetradecane-2,9-dione?
The InChIKey is KGBCZKSFVVEERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c11-9-13-5-1-2-6-14-10(12)16-8-4-3-7-15-9/h1-8H2.
What are the key properties of 1,3,8,10-tetraoxacyclotetradecane-2,9-dione?
1,3,8,10-tetraoxacyclotetradecane-2,9-dione has a molecular weight of 232.23 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8,10-tetraoxacyclotetradecane-2,9-dione is sourced from PubChem (CID 67254769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).