24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one

C23H38O2 — CID 101237986

IUPAC24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one
SMILESO=c1cc2oc(c1)CCCCCCCCCCCCCCCCCC2
InChIInChI=1S/C23H38O2/c24-21-19-22-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23(20-21)25-22/h19-20H,1-18H2
InChIKeyXYUNLRCQMBTMIN-UHFFFAOYSA-N
MW346.56 g/mol
LogP6.98
Rot. Bonds

About 24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one

24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one (PubChem CID 101237986) has the molecular formula C23H38O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is 24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one.

Molecular Properties

Compound Name24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one
PubChem CID101237986
Molecular FormulaC23H38O2
Molecular Weight346.56 g/mol
Exact Mass346.29
IUPAC Name24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one
SMILESO=c1cc2oc(c1)CCCCCCCCCCCCCCCCCC2
InChIInChI=1S/C23H38O2/c24-21-19-22-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23(20-21)25-22/h19-20H,1-18H2
InChIKeyXYUNLRCQMBTMIN-UHFFFAOYSA-N
XLogP6.98
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one with MolForge

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Related Compounds

16-oxabicyclo[10.3.1]hexadeca-1(15),12-dien-14-one
CID 11310874
(11E)-24-methoxy-22-oxabicyclo[19.2.2]pentacosa-1(24),11,21(25)-triene-2,23-dione
CID 11281105
6,17-dioxatricyclo[12.2.1.05,7]heptadeca-1(16),14-dien-8-one
CID 166441720
cyclotridecane-1,2-dione
CID 67428267
cyclotricosanone
CID 54375596
cyclododecanone
CID 141308130
oxacyclododecane-2,12-dione
CID 14785770
25,26-dihydroxy-10,23-dioxatricyclo[19.2.2.18,12]hexacosa-1(24),8,12(26),21(25)-tetraene-11,13,20,22-tetrone
CID 134921636
8-oxabicyclo[3.2.1]octa-1,4,6-trien-3-one
CID 123320344
16-hydroxy-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]imino-14-oxabicyclo[11.2.2]heptadeca-1(16),13(17)-dien-15-one
CID 177409660
3-ethyl-7-hydroxy-2,22-dioxabicyclo[16.3.1]docosa-1(21),3,5,9,18-pentaen-12-yn-20-one
CID 74051854
10-oxabicyclo[7.1.0]dec-1(9)-ene
CID 141387056

Frequently Asked Questions

What is the IUPAC name of 24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one?
The IUPAC name of 24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one (CID 101237986) is 24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one.
What is the SMILES notation for 24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one?
The canonical SMILES for 24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one is O=c1cc2oc(c1)CCCCCCCCCCCCCCCCCC2.
What is the InChIKey of 24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one?
The InChIKey is XYUNLRCQMBTMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O2/c24-21-19-22-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-23(20-21)25-22/h19-20H,1-18H2.
What are the key properties of 24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one?
24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one has a molecular weight of 346.56 g/mol, XLogP of 6.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 24-oxabicyclo[18.3.1]tetracosa-1(23),20-dien-22-one is sourced from PubChem (CID 101237986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).