2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione

C27H36O8 — CID 20631074

IUPAC2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione
SMILESCC(C)(CCCC(=O)CCCC(=O)CCCC(C)(C)c1cc(=O)c(O)co1)c1cc(=O)c(O)co1
InChIInChI=1S/C27H36O8/c1-26(2,24-14-20(30)22(32)16-34-24)12-6-10-18(28)8-5-9-19(29)11-7-13-27(3,4)25-15-21(31)23(33)17-35-25/h14-17,32-33H,5-13H2,1-4H3
InChIKeyUOOMSWOPTNVEBX-UHFFFAOYSA-N
MW488.58 g/mol
LogP4.91
Rot. Bonds14

About 2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione

2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione (PubChem CID 20631074) has the molecular formula C27H36O8 and a molecular weight of 488.58 g/mol. Its IUPAC name is 2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione.

Molecular Properties

Compound Name2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione
PubChem CID20631074
Molecular FormulaC27H36O8
Molecular Weight488.58 g/mol
Exact Mass488.24
IUPAC Name2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione
SMILESCC(C)(CCCC(=O)CCCC(=O)CCCC(C)(C)c1cc(=O)c(O)co1)c1cc(=O)c(O)co1
InChIInChI=1S/C27H36O8/c1-26(2,24-14-20(30)22(32)16-34-24)12-6-10-18(28)8-5-9-19(29)11-7-13-27(3,4)25-15-21(31)23(33)17-35-25/h14-17,32-33H,5-13H2,1-4H3
InChIKeyUOOMSWOPTNVEBX-UHFFFAOYSA-N
XLogP4.91
TPSA135.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione?
The IUPAC name of 2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione (CID 20631074) is 2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione.
What is the SMILES notation for 2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione?
The canonical SMILES for 2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione is CC(C)(CCCC(=O)CCCC(=O)CCCC(C)(C)c1cc(=O)c(O)co1)c1cc(=O)c(O)co1.
What is the InChIKey of 2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione?
The InChIKey is UOOMSWOPTNVEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O8/c1-26(2,24-14-20(30)22(32)16-34-24)12-6-10-18(28)8-5-9-19(29)11-7-13-27(3,4)25-15-21(31)23(33)17-35-25/h14-17,32-33H,5-13H2,1-4H3.
What are the key properties of 2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione?
2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione has a molecular weight of 488.58 g/mol, XLogP of 4.91, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-bis(5-hydroxy-4-oxopyran-2-yl)-2,14-dimethylpentadecane-6,10-dione is sourced from PubChem (CID 20631074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).