1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone

C12H22O6 — CID 90993504

IUPAC1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone
SMILESCC(=O)C1COCCOCCOCCOCCO1
InChIInChI=1S/C12H22O6/c1-11(13)12-10-17-7-6-15-3-2-14-4-5-16-8-9-18-12/h12H,2-10H2,1H3
InChIKeyWDDYUXNYMUMGCS-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.04
Rot. Bonds1

About 1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone

1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone (PubChem CID 90993504) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone
PubChem CID90993504
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone
SMILESCC(=O)C1COCCOCCOCCOCCO1
InChIInChI=1S/C12H22O6/c1-11(13)12-10-17-7-6-15-3-2-14-4-5-16-8-9-18-12/h12H,2-10H2,1H3
InChIKeyWDDYUXNYMUMGCS-UHFFFAOYSA-N
XLogP0.04
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2,3-Bis(2-oxopropoxy)propoxy]propan-2-one
CID 50280
1-(1,4-Dioxan-2-yl)ethan-1-one
CID 54345126
Bikethoxal
CID 134685
1-[2-[2-[2-[2-(2-Oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 13814968
1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone
CID 11287407
[(2R)-3-oxo-2-propanoyloxypentyl] propanoate
CID 15840996
1,4,7,10,13,16-Hexaoxacyclooctadecane-2-carbaldehyde
CID 12718346
4,7,10,13-Tetraoxahexadecane-2,15-dione
CID 13699408
1,4-Diethoxybutan-2-one
CID 14434434
1-[2-(2-Oxopropoxy)propoxy]propan-2-one
CID 15144682
1-[2-(2-Methoxyethoxy)ethoxy]propan-2-one
CID 22961367
(2-Acetyloxy-3-oxobutyl) acetate
CID 23387134

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone?
The IUPAC name of 1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone (CID 90993504) is 1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone.
What is the SMILES notation for 1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone?
The canonical SMILES for 1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone is CC(=O)C1COCCOCCOCCOCCO1.
What is the InChIKey of 1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone?
The InChIKey is WDDYUXNYMUMGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6/c1-11(13)12-10-17-7-6-15-3-2-14-4-5-16-8-9-18-12/h12H,2-10H2,1H3.
What are the key properties of 1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone?
1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone has a molecular weight of 262.30 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,7,10,13-pentaoxacyclopentadec-2-yl)ethanone is sourced from PubChem (CID 90993504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).