11-propylhenicosane-10,12-dione

C24H46O2 — CID 57313364

IUPAC11-propylhenicosane-10,12-dione
SMILESCCCCCCCCCC(=O)C(CCC)C(=O)CCCCCCCCC
InChIInChI=1S/C24H46O2/c1-4-7-9-11-13-15-17-20-23(25)22(19-6-3)24(26)21-18-16-14-12-10-8-5-2/h22H,4-21H2,1-3H3
InChIKeyFDPVLTGKTBKWPA-UHFFFAOYSA-N
MW366.63 g/mol
LogP7.82
Rot. Bonds20

About 11-propylhenicosane-10,12-dione

11-propylhenicosane-10,12-dione (PubChem CID 57313364) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is 11-propylhenicosane-10,12-dione.

Molecular Properties

Compound Name11-propylhenicosane-10,12-dione
PubChem CID57313364
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name11-propylhenicosane-10,12-dione
SMILESCCCCCCCCCC(=O)C(CCC)C(=O)CCCCCCCCC
InChIInChI=1S/C24H46O2/c1-4-7-9-11-13-15-17-20-23(25)22(19-6-3)24(26)21-18-16-14-12-10-8-5-2/h22H,4-21H2,1-3H3
InChIKeyFDPVLTGKTBKWPA-UHFFFAOYSA-N
XLogP7.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

17-butyltritriacontane-16,18-dione
CID 173360243
13-pentadecylheptacosane-12,14-dione
CID 141100144
3-propyltridecane-2,4-dione
CID 24821904
13-(2-aminoethyl)pentacosane-12,14-dione
CID 87068334
3-oxo-2-tetradecylheptadecanoic acid
CID 54574565
(2S)-2-octyl-3-oxododecanoic acid
CID 154046678
2-octanoylhexadecanoic acid
CID 159011592
trimethyl-(4-oxo-3-tetradecanoylheptadecyl)azanium
CID 175524922
2-ethyl-3-oxoicosanoic acid
CID 57213641
2,4-dihexadecyl-3,5-dioxodocosanoic acid
CID 87909496
23-[(dimethylamino)methyl]pentatetracontane-22,24-dione
CID 141463289
13-[2-(3-hydroxypropylamino)ethyl]pentacosane-12,14-dione
CID 87067960

Frequently Asked Questions

What is the IUPAC name of 11-propylhenicosane-10,12-dione?
The IUPAC name of 11-propylhenicosane-10,12-dione (CID 57313364) is 11-propylhenicosane-10,12-dione.
What is the SMILES notation for 11-propylhenicosane-10,12-dione?
The canonical SMILES for 11-propylhenicosane-10,12-dione is CCCCCCCCCC(=O)C(CCC)C(=O)CCCCCCCCC.
What is the InChIKey of 11-propylhenicosane-10,12-dione?
The InChIKey is FDPVLTGKTBKWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-4-7-9-11-13-15-17-20-23(25)22(19-6-3)24(26)21-18-16-14-12-10-8-5-2/h22H,4-21H2,1-3H3.
What are the key properties of 11-propylhenicosane-10,12-dione?
11-propylhenicosane-10,12-dione has a molecular weight of 366.63 g/mol, XLogP of 7.82, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propylhenicosane-10,12-dione is sourced from PubChem (CID 57313364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).