1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one

C11H16O5 — CID 101431456

IUPAC1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one
SMILESO=C1CCC2(OCCCCC23OCCO3)O1
InChIInChI=1S/C11H16O5/c12-9-3-5-11(16-9)10(14-7-8-15-10)4-1-2-6-13-11/h1-8H2
InChIKeyCCCXEKNCWMDXST-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.96
Rot. Bonds

About 1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one

1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one (PubChem CID 101431456) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one.

Molecular Properties

Compound Name1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one
PubChem CID101431456
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one
SMILESO=C1CCC2(OCCCCC23OCCO3)O1
InChIInChI=1S/C11H16O5/c12-9-3-5-11(16-9)10(14-7-8-15-10)4-1-2-6-13-11/h1-8H2
InChIKeyCCCXEKNCWMDXST-UHFFFAOYSA-N
XLogP0.96
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-5-[(2R)-5-oxooxolan-2-yl]oxolan-2-one
CID 11062821
5-(5-Oxooxolan-2-yl)oxolan-2-one
CID 13700970
(5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 10935035
(5S)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 21633354
1,4,7,11-Tetraoxadispiro[4.0.46.45]tetradecan-8-one
CID 23584582
ethyl 3-[(4S,5R)-5-[(6S)-6-acetyloxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 134836602
(1S,6S,12R)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadecan-4-one
CID 134858310
(5S)-5-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]oxolan-2-one
CID 139039708
methyl 3-[(4S,5R)-5-dodecyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 10784511
ethyl 3-[(4R,5R)-5-(3-ethoxy-3-oxopropyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 10870375
(5R)-5-[(4S,5S)-2,2-dimethyl-5-octyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 10979432
Ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1,3-dioxolan-2-yl]butanoate
CID 11109429

Frequently Asked Questions

What is the IUPAC name of 1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one?
The IUPAC name of 1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one (CID 101431456) is 1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one.
What is the SMILES notation for 1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one?
The canonical SMILES for 1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one is O=C1CCC2(OCCCCC23OCCO3)O1.
What is the InChIKey of 1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one?
The InChIKey is CCCXEKNCWMDXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c12-9-3-5-11(16-9)10(14-7-8-15-10)4-1-2-6-13-11/h1-8H2.
What are the key properties of 1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one?
1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one has a molecular weight of 228.24 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,11-tetraoxadispiro[4.0.46.55]pentadecan-8-one is sourced from PubChem (CID 101431456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).