6-icosyloxan-2-one

C25H48O2 — CID 100966702

IUPAC6-icosyloxan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCC1CCCC(=O)O1
InChIInChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23-25(26)27-24/h24H,2-23H2,1H3
InChIKeyZAXTWDYRIPXPNX-UHFFFAOYSA-N
MW380.66 g/mol
LogP8.51
Rot. Bonds19

About 6-icosyloxan-2-one

6-icosyloxan-2-one (PubChem CID 100966702) has the molecular formula C25H48O2 and a molecular weight of 380.66 g/mol. Its IUPAC name is 6-icosyloxan-2-one.

Molecular Properties

Compound Name6-icosyloxan-2-one
PubChem CID100966702
Molecular FormulaC25H48O2
Molecular Weight380.66 g/mol
Exact Mass380.37
IUPAC Name6-icosyloxan-2-one
SMILESCCCCCCCCCCCCCCCCCCCCC1CCCC(=O)O1
InChIInChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23-25(26)27-24/h24H,2-23H2,1H3
InChIKeyZAXTWDYRIPXPNX-UHFFFAOYSA-N
XLogP8.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-icosyloxan-2-one?
The IUPAC name of 6-icosyloxan-2-one (CID 100966702) is 6-icosyloxan-2-one.
What is the SMILES notation for 6-icosyloxan-2-one?
The canonical SMILES for 6-icosyloxan-2-one is CCCCCCCCCCCCCCCCCCCCC1CCCC(=O)O1.
What is the InChIKey of 6-icosyloxan-2-one?
The InChIKey is ZAXTWDYRIPXPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23-25(26)27-24/h24H,2-23H2,1H3.
What are the key properties of 6-icosyloxan-2-one?
6-icosyloxan-2-one has a molecular weight of 380.66 g/mol, XLogP of 8.51, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-icosyloxan-2-one is sourced from PubChem (CID 100966702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).