hexacosane-3,6,9,12,15,18,21,24-octone

C26H38O8 — CID 175857763

IUPAChexacosane-3,6,9,12,15,18,21,24-octone
SMILESCCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CC
InChIInChI=1S/C26H38O8/c1-3-19(27)5-7-21(29)9-11-23(31)13-15-25(33)17-18-26(34)16-14-24(32)12-10-22(30)8-6-20(28)4-2/h3-18H2,1-2H3
InChIKeyIYXBMOBYNKDSIU-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.82
Rot. Bonds23

About hexacosane-3,6,9,12,15,18,21,24-octone

hexacosane-3,6,9,12,15,18,21,24-octone (PubChem CID 175857763) has the molecular formula C26H38O8 and a molecular weight of 478.58 g/mol. Its IUPAC name is hexacosane-3,6,9,12,15,18,21,24-octone.

Molecular Properties

Compound Namehexacosane-3,6,9,12,15,18,21,24-octone
PubChem CID175857763
Molecular FormulaC26H38O8
Molecular Weight478.58 g/mol
Exact Mass478.26
IUPAC Namehexacosane-3,6,9,12,15,18,21,24-octone
SMILESCCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CC
InChIInChI=1S/C26H38O8/c1-3-19(27)5-7-21(29)9-11-23(31)13-15-25(33)17-18-26(34)16-14-24(32)12-10-22(30)8-6-20(28)4-2/h3-18H2,1-2H3
InChIKeyIYXBMOBYNKDSIU-UHFFFAOYSA-N
XLogP3.82
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4,7-dioxononanoic acid
CID 131853038
heptadecane-3,7,11,15-tetrone
CID 160942813
hexadecane-3,6-dione
CID 154449726
9-ethylundecane-3,6-dione
CID 174193885
2,5-dioxoheptanoic acid
CID 18004594
sodium 4-oxohexanoate
CID 23690884
1-methoxyheptane-2,5-dione
CID 12648673
tetracosane-3,13-dione
CID 143607999
methane;undecane-3,9-dione
CID 158816586
pentan-3-one;trihydrochloride
CID 172711203
hydrogen peroxide;pentan-3-one
CID 18361632
pentadecane-2,7,13-trione
CID 154620463

Frequently Asked Questions

What is the IUPAC name of hexacosane-3,6,9,12,15,18,21,24-octone?
The IUPAC name of hexacosane-3,6,9,12,15,18,21,24-octone (CID 175857763) is hexacosane-3,6,9,12,15,18,21,24-octone.
What is the SMILES notation for hexacosane-3,6,9,12,15,18,21,24-octone?
The canonical SMILES for hexacosane-3,6,9,12,15,18,21,24-octone is CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CCC(=O)CC.
What is the InChIKey of hexacosane-3,6,9,12,15,18,21,24-octone?
The InChIKey is IYXBMOBYNKDSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O8/c1-3-19(27)5-7-21(29)9-11-23(31)13-15-25(33)17-18-26(34)16-14-24(32)12-10-22(30)8-6-20(28)4-2/h3-18H2,1-2H3.
What are the key properties of hexacosane-3,6,9,12,15,18,21,24-octone?
hexacosane-3,6,9,12,15,18,21,24-octone has a molecular weight of 478.58 g/mol, XLogP of 3.82, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hexacosane-3,6,9,12,15,18,21,24-octone is sourced from PubChem (CID 175857763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).