6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one

C19H28O6 — CID 157296266

IUPAC6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one
SMILESO=C1COCC(c2ccccc2)OCCOCCOCCCCCO1
InChIInChI=1S/C19H28O6/c20-19-16-23-15-18(17-7-3-1-4-8-17)24-14-13-22-12-11-21-9-5-2-6-10-25-19/h1,3-4,7-8,18H,2,5-6,9-16H2
InChIKeyLXMOYMWRAHFMJK-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.52
Rot. Bonds1

About 6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one

6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one (PubChem CID 157296266) has the molecular formula C19H28O6 and a molecular weight of 352.43 g/mol. Its IUPAC name is 6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one.

Molecular Properties

Compound Name6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one
PubChem CID157296266
Molecular FormulaC19H28O6
Molecular Weight352.43 g/mol
Exact Mass352.19
IUPAC Name6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one
SMILESO=C1COCC(c2ccccc2)OCCOCCOCCCCCO1
InChIInChI=1S/C19H28O6/c20-19-16-23-15-18(17-7-3-1-4-8-17)24-14-13-22-12-11-21-9-5-2-6-10-25-19/h1,3-4,7-8,18H,2,5-6,9-16H2
InChIKeyLXMOYMWRAHFMJK-UHFFFAOYSA-N
XLogP2.52
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-5-phenyl-1,4-dioxan-2-one
CID 101083967
1,4-dioxacycloheptadecan-2-one
CID 18520727
(13S)-21-methoxy-5,13-diphenyl-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene
CID 177498913
2-phenyloxirane
CID 7276
1,5-dioxacycloheptadecane-2,4-dione
CID 11708817
1,5-dioxecane-2,4-dione
CID 11708136
1,5,29,33-tetraoxacyclohexapentacontane-2,4,30,32-tetrone
CID 102188033
2-phenyl-1,3-dioxonane
CID 70602118
1,3,6,9,12,15-hexaoxacyclooctadecane-10,14-dione
CID 102445385
ethane;2-phenyloxirane
CID 54171856
1,4,7,10-tetraoxacyclododecan-2-one
CID 533646
1,4-dioxepan-2-one;ethane
CID 91368982

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one?
The IUPAC name of 6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one (CID 157296266) is 6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one.
What is the SMILES notation for 6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one?
The canonical SMILES for 6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one is O=C1COCC(c2ccccc2)OCCOCCOCCCCCO1.
What is the InChIKey of 6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one?
The InChIKey is LXMOYMWRAHFMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O6/c20-19-16-23-15-18(17-7-3-1-4-8-17)24-14-13-22-12-11-21-9-5-2-6-10-25-19/h1,3-4,7-8,18H,2,5-6,9-16H2.
What are the key properties of 6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one?
6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one has a molecular weight of 352.43 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,4,7,10,13-pentaoxacyclooctadecan-2-one is sourced from PubChem (CID 157296266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).