1,4,7,10,13-pentaoxacyclohexadecane

C11H22O5 — CID 13165041

IUPAC1,4,7,10,13-pentaoxacyclohexadecane
SMILESC1COCCOCCOCCOCCOC1
InChIInChI=1S/C11H22O5/c1-2-12-4-6-14-8-10-16-11-9-15-7-5-13-3-1/h1-11H2
InChIKeyGOCKDPOEYFOXRC-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.47
Rot. Bonds

About 1,4,7,10,13-pentaoxacyclohexadecane

1,4,7,10,13-pentaoxacyclohexadecane (PubChem CID 13165041) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1,4,7,10,13-pentaoxacyclohexadecane.

Molecular Properties

Compound Name1,4,7,10,13-pentaoxacyclohexadecane
PubChem CID13165041
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name1,4,7,10,13-pentaoxacyclohexadecane
SMILESC1COCCOCCOCCOCCOC1
InChIInChI=1S/C11H22O5/c1-2-12-4-6-14-8-10-16-11-9-15-7-5-13-3-1/h1-11H2
InChIKeyGOCKDPOEYFOXRC-UHFFFAOYSA-N
XLogP0.47
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tetraglyme
CID 8925
15-Crown-5
CID 36336
18-Crown-6
CID 28557
Triglyme
CID 8189
1,4,7,10-Tetraoxacyclododecane
CID 9269
3,6,9,12,15-Pentaoxaheptadecane
CID 78057
3,6,9,12,15,18-Hexaoxaeicosane
CID 90206
5,8,11,14-Tetraoxaoctadecane
CID 2733908
2,5,8,11,14,17-Hexaoxaoctadecane
CID 70931
2,5,8,11,14,17,20-Heptaoxaheneicosane
CID 70621
3,6,9,12-Tetraoxatetradecane
CID 14048888
1,4,7,10,13,16,19-Heptaoxacycloheneicosane
CID 93160

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10,13-pentaoxacyclohexadecane?
The IUPAC name of 1,4,7,10,13-pentaoxacyclohexadecane (CID 13165041) is 1,4,7,10,13-pentaoxacyclohexadecane.
What is the SMILES notation for 1,4,7,10,13-pentaoxacyclohexadecane?
The canonical SMILES for 1,4,7,10,13-pentaoxacyclohexadecane is C1COCCOCCOCCOCCOC1.
What is the InChIKey of 1,4,7,10,13-pentaoxacyclohexadecane?
The InChIKey is GOCKDPOEYFOXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-2-12-4-6-14-8-10-16-11-9-15-7-5-13-3-1/h1-11H2.
What are the key properties of 1,4,7,10,13-pentaoxacyclohexadecane?
1,4,7,10,13-pentaoxacyclohexadecane has a molecular weight of 234.29 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10,13-pentaoxacyclohexadecane is sourced from PubChem (CID 13165041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).