1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one

C10H14O5 — CID 23584582

IUPAC1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one
SMILESO=C1CCC2(OCCCC23OCCO3)O1
InChIInChI=1S/C10H14O5/c11-8-2-4-10(15-8)9(3-1-5-12-10)13-6-7-14-9/h1-7H2
InChIKeyDSARGPSKPXDSBK-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.57
Rot. Bonds

About 1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one

1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one (PubChem CID 23584582) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one.

Molecular Properties

Compound Name1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one
PubChem CID23584582
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one
SMILESO=C1CCC2(OCCCC23OCCO3)O1
InChIInChI=1S/C10H14O5/c11-8-2-4-10(15-8)9(3-1-5-12-10)13-6-7-14-9/h1-7H2
InChIKeyDSARGPSKPXDSBK-UHFFFAOYSA-N
XLogP0.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.57
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
1,6-Dioxaspiro[4.5]decan-2-one
CID 12501447
Tetrahydro[2,2']bifuranyl-5-one
CID 551231
5-(5-Oxooxolan-2-yl)oxolan-2-one
CID 13700970
(5S)-1,10-dioxaspiro[4.5]decan-2-one
CID 10630744
(3aR,4R,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
CID 10849780
(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[4.0.46.55]pentadecan-8-one
CID 101431456
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
(3aR,7aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-one
CID 134882901

Frequently Asked Questions

What is the IUPAC name of 1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one?
The IUPAC name of 1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one (CID 23584582) is 1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one.
What is the SMILES notation for 1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one?
The canonical SMILES for 1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one is O=C1CCC2(OCCCC23OCCO3)O1.
What is the InChIKey of 1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one?
The InChIKey is DSARGPSKPXDSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c11-8-2-4-10(15-8)9(3-1-5-12-10)13-6-7-14-9/h1-7H2.
What are the key properties of 1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one?
1,4,7,11-tetraoxadispiro[4.0.46.45]tetradecan-8-one has a molecular weight of 214.22 g/mol, XLogP of 0.57, 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[4.0.46.45]tetradecan-8-one is sourced from PubChem (CID 23584582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).