oxacyclotetracosane

C23H46O — CID 57108486

IUPACoxacyclotetracosane
SMILESC1CCCCCCCCCCCOCCCCCCCCCCC1
InChIInChI=1S/C23H46O/c1-2-4-6-8-10-12-14-16-18-20-22-24-23-21-19-17-15-13-11-9-7-5-3-1/h1-23H2
InChIKeyQVPZMLHKTMAVKK-UHFFFAOYSA-N
MW338.62 g/mol
LogP8.21
Rot. Bonds

About oxacyclotetracosane

oxacyclotetracosane (PubChem CID 57108486) has the molecular formula C23H46O and a molecular weight of 338.62 g/mol. Its IUPAC name is oxacyclotetracosane.

Molecular Properties

Compound Nameoxacyclotetracosane
PubChem CID57108486
Molecular FormulaC23H46O
Molecular Weight338.62 g/mol
Exact Mass338.35
IUPAC Nameoxacyclotetracosane
SMILESC1CCCCCCCCCCCOCCCCCCCCCCC1
InChIInChI=1S/C23H46O/c1-2-4-6-8-10-12-14-16-18-20-22-24-23-21-19-17-15-13-11-9-7-5-3-1/h1-23H2
InChIKeyQVPZMLHKTMAVKK-UHFFFAOYSA-N
XLogP8.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxolane;oxonane
CID 159283889
oxacycloheptadecane
CID 22011753
cyclohexane;oxane
CID 20574508
1,4,7-trioxacyclotridecane
CID 118017817
oxacyclotetradecane;dihydrate
CID 173194889
λ2-plumbane;oxane
CID 173444965
oxane;selane
CID 173094887
oxane dichloride
CID 19601825
oxane;zinc
CID 66716277

Frequently Asked Questions

What is the IUPAC name of oxacyclotetracosane?
The IUPAC name of oxacyclotetracosane (CID 57108486) is oxacyclotetracosane.
What is the SMILES notation for oxacyclotetracosane?
The canonical SMILES for oxacyclotetracosane is C1CCCCCCCCCCCOCCCCCCCCCCC1.
What is the InChIKey of oxacyclotetracosane?
The InChIKey is QVPZMLHKTMAVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O/c1-2-4-6-8-10-12-14-16-18-20-22-24-23-21-19-17-15-13-11-9-7-5-3-1/h1-23H2.
What are the key properties of oxacyclotetracosane?
oxacyclotetracosane has a molecular weight of 338.62 g/mol, XLogP of 8.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxacyclotetracosane is sourced from PubChem (CID 57108486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).