tetracosane-3,13-dione

C24H46O2 — CID 143607999

IUPACtetracosane-3,13-dione
SMILESCCCCCCCCCCCC(=O)CCCCCCCCCC(=O)CC
InChIInChI=1S/C24H46O2/c1-3-5-6-7-8-9-11-15-18-21-24(26)22-19-16-13-10-12-14-17-20-23(25)4-2/h3-22H2,1-2H3
InChIKeyCWXQJIXZNBUWHR-UHFFFAOYSA-N
MW366.63 g/mol
LogP7.97
Rot. Bonds21

About tetracosane-3,13-dione

tetracosane-3,13-dione (PubChem CID 143607999) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is tetracosane-3,13-dione.

Molecular Properties

Compound Nametetracosane-3,13-dione
PubChem CID143607999
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Nametetracosane-3,13-dione
SMILESCCCCCCCCCCCC(=O)CCCCCCCCCC(=O)CC
InChIInChI=1S/C24H46O2/c1-3-5-6-7-8-9-11-15-18-21-24(26)22-19-16-13-10-12-14-17-20-23(25)4-2/h3-22H2,1-2H3
InChIKeyCWXQJIXZNBUWHR-UHFFFAOYSA-N
XLogP7.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 57.97
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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Related Compounds

hexadecane-3,6-dione
CID 154449726
decan-3-one;hydrochloride
CID 22446547
decan-4-one;heptan-3-one
CID 158463149
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
octacosan-8-one
CID 86052342
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
nonatriacontane-8,29-dione
CID 150237018
pentacosan-7-one
CID 54551687
dodecan-5-one
CID 29771
N-methylmethanamine;octan-3-one
CID 174828538

Frequently Asked Questions

What is the IUPAC name of tetracosane-3,13-dione?
The IUPAC name of tetracosane-3,13-dione (CID 143607999) is tetracosane-3,13-dione.
What is the SMILES notation for tetracosane-3,13-dione?
The canonical SMILES for tetracosane-3,13-dione is CCCCCCCCCCCC(=O)CCCCCCCCCC(=O)CC.
What is the InChIKey of tetracosane-3,13-dione?
The InChIKey is CWXQJIXZNBUWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-3-5-6-7-8-9-11-15-18-21-24(26)22-19-16-13-10-12-14-17-20-23(25)4-2/h3-22H2,1-2H3.
What are the key properties of tetracosane-3,13-dione?
tetracosane-3,13-dione has a molecular weight of 366.63 g/mol, XLogP of 7.97, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosane-3,13-dione is sourced from PubChem (CID 143607999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).