1,4,7,10-tetraoxacyclododecane

C8H16O4 — CID 9269

IUPAC1,4,7,10-tetraoxacyclododecane
SMILESC1COCCOCCOCCO1
InChIInChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2
InChIKeyXQQZRZQVBFHBHL-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.07
Rot. Bonds

About 1,4,7,10-tetraoxacyclododecane

1,4,7,10-tetraoxacyclododecane (PubChem CID 9269) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1,4,7,10-tetraoxacyclododecane.

Molecular Properties

Compound Name1,4,7,10-tetraoxacyclododecane
PubChem CID9269
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name1,4,7,10-tetraoxacyclododecane
SMILESC1COCCOCCOCCO1
InChIInChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2
InChIKeyXQQZRZQVBFHBHL-UHFFFAOYSA-N
XLogP0.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 8925
Diethylene glycol diethyl ether
CID 8179
15-Crown-5
CID 36336
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CID 28557
Triglyme
CID 8189
3,6,9,12,15-Pentaoxaheptadecane
CID 78057
3,6,9,12,15,18-Hexaoxaeicosane
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5,8,11,14-Tetraoxaoctadecane
CID 2733908
1-Ethoxy-2-(2-methoxyethoxy)ethane
CID 13847
2,5,8,11,14,17-Hexaoxaoctadecane
CID 70931
Yttrium trimethoxyethoxide
CID 14452922
3,6,9,12-Tetraoxatetradecane
CID 14048888

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetraoxacyclododecane?
The IUPAC name of 1,4,7,10-tetraoxacyclododecane (CID 9269) is 1,4,7,10-tetraoxacyclododecane.
What is the SMILES notation for 1,4,7,10-tetraoxacyclododecane?
The canonical SMILES for 1,4,7,10-tetraoxacyclododecane is C1COCCOCCOCCO1.
What is the InChIKey of 1,4,7,10-tetraoxacyclododecane?
The InChIKey is XQQZRZQVBFHBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2.
What are the key properties of 1,4,7,10-tetraoxacyclododecane?
1,4,7,10-tetraoxacyclododecane has a molecular weight of 176.21 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetraoxacyclododecane is sourced from PubChem (CID 9269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).