(8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone

C20H28O8 — CID 177497235

IUPAC(8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone
SMILESCC(=O)CC1CCC(=O)CCC(=O)O[C@H](CC(C)=O)CCC(=O)CCC(=O)O1
InChIInChI=1S/C20H28O8/c1-13(21)11-17-7-3-15(23)6-10-20(26)28-18(12-14(2)22)8-4-16(24)5-9-19(25)27-17/h17-18H,3-12H2,1-2H3/t17-,18?/m0/s1
InChIKeyBANPLRUNKASJCB-ZENAZSQFSA-N
MW396.44 g/mol
LogP2.04
Rot. Bonds4

About (8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone

(8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone (PubChem CID 177497235) has the molecular formula C20H28O8 and a molecular weight of 396.44 g/mol. Its IUPAC name is (8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone.

Molecular Properties

Compound Name(8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone
PubChem CID177497235
Molecular FormulaC20H28O8
Molecular Weight396.44 g/mol
Exact Mass396.18
IUPAC Name(8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone
SMILESCC(=O)CC1CCC(=O)CCC(=O)O[C@H](CC(C)=O)CCC(=O)CCC(=O)O1
InChIInChI=1S/C20H28O8/c1-13(21)11-17-7-3-15(23)6-10-20(26)28-18(12-14(2)22)8-4-16(24)5-9-19(25)27-17/h17-18H,3-12H2,1-2H3/t17-,18?/m0/s1
InChIKeyBANPLRUNKASJCB-ZENAZSQFSA-N
XLogP2.04
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,8S,11E,16S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadeca-3,11-diene-2,5,10,13-tetrone
CID 11101249
N-[(5-oxooxolan-2-yl)methyl]acetamide
CID 533856
ethane;5-(hydroxymethyl)oxolan-2-one
CID 142985862
8-(5,10-dioxooxecan-2-yl)octane-2,3,6-trione
CID 154620486
5-(hydroxymethyl)oxolan-2-one
CID 158931038
(3E,8S,11E,13R,16S)-13-hydroxy-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadeca-3,11-diene-2,5,10-trione
CID 162871309
ethyl 2-[(2R)-6-oxooxan-2-yl]acetate
CID 102379302
1-(oxiran-2-yl)propan-2-one
CID 15110788
(5S)-5-(sulfanylmethyl)oxolan-2-one
CID 59949087
3-(5-oxooxolan-2-yl)propanoyl chloride
CID 14084427
2-(5-oxooxolan-2-yl)ethyl 2-methylprop-2-enoate
CID 20736051
(5R)-5-butyloxolan-2-one
CID 7057971

Frequently Asked Questions

What is the IUPAC name of (8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone?
The IUPAC name of (8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone (CID 177497235) is (8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone.
What is the SMILES notation for (8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone?
The canonical SMILES for (8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone is CC(=O)CC1CCC(=O)CCC(=O)O[C@H](CC(C)=O)CCC(=O)CCC(=O)O1.
What is the InChIKey of (8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone?
The InChIKey is BANPLRUNKASJCB-ZENAZSQFSA-N. The full InChI is InChI=1S/C20H28O8/c1-13(21)11-17-7-3-15(23)6-10-20(26)28-18(12-14(2)22)8-4-16(24)5-9-19(25)27-17/h17-18H,3-12H2,1-2H3/t17-,18?/m0/s1.
What are the key properties of (8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone?
(8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone has a molecular weight of 396.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10,13-tetrone is sourced from PubChem (CID 177497235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).