1,4,7,10-tetraoxacyclododecan-2-one

C8H14O5 — CID 533646

IUPAC1,4,7,10-tetraoxacyclododecan-2-one
SMILESO=C1COCCOCCOCCO1
InChIInChI=1S/C8H14O5/c9-8-7-12-4-3-10-1-2-11-5-6-13-8/h1-7H2
InChIKeyYNKPCWQWTUAAMS-UHFFFAOYSA-N
MW190.19 g/mol
LogP-0.41
Rot. Bonds

About 1,4,7,10-tetraoxacyclododecan-2-one

1,4,7,10-tetraoxacyclododecan-2-one (PubChem CID 533646) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is 1,4,7,10-tetraoxacyclododecan-2-one.

Molecular Properties

Compound Name1,4,7,10-tetraoxacyclododecan-2-one
PubChem CID533646
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name1,4,7,10-tetraoxacyclododecan-2-one
SMILESO=C1COCCOCCOCCO1
InChIInChI=1S/C8H14O5/c9-8-7-12-4-3-10-1-2-11-5-6-13-8/h1-7H2
InChIKeyYNKPCWQWTUAAMS-UHFFFAOYSA-N
XLogP-0.41
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dioxan-2-one;hydrate
CID 141120981
1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione
CID 568388
1,4,7,10,13,17,20,23,26,29,33,36,39,42,45-pentadecaoxacyclooctatetracontane-14,16,30,32,46,48-hexone
CID 11029119
bis(1,3-dioxan-2-one);bis(1,4-dioxan-2-one)
CID 160760292
cyclohexanone;1,4-dioxan-2-one
CID 159417034
1,4-dioxan-2-one;2-hydroxyacetic acid
CID 67941331
1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione
CID 102445385
1,4-dioxacycloheptadecan-2-one
CID 18520727
1,4-dioxan-2-one;bis(2-methylprop-2-enoic acid)
CID 175387730
1,4-dioxepan-2-one;ethane
CID 91368982
1,4-dioxane;1,4-dioxane-2,3-dione
CID 159785503
1,4-dioxane-2,5-dione;methane
CID 160896103

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetraoxacyclododecan-2-one?
The IUPAC name of 1,4,7,10-tetraoxacyclododecan-2-one (CID 533646) is 1,4,7,10-tetraoxacyclododecan-2-one.
What is the SMILES notation for 1,4,7,10-tetraoxacyclododecan-2-one?
The canonical SMILES for 1,4,7,10-tetraoxacyclododecan-2-one is O=C1COCCOCCOCCO1.
What is the InChIKey of 1,4,7,10-tetraoxacyclododecan-2-one?
The InChIKey is YNKPCWQWTUAAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c9-8-7-12-4-3-10-1-2-11-5-6-13-8/h1-7H2.
What are the key properties of 1,4,7,10-tetraoxacyclododecan-2-one?
1,4,7,10-tetraoxacyclododecan-2-one has a molecular weight of 190.19 g/mol, XLogP of -0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetraoxacyclododecan-2-one is sourced from PubChem (CID 533646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).