(3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione

C12H18O4 — CID 10966200

IUPAC(3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione
SMILESCC1CCCCCC(O)C(=O)/C=C/C(=O)O1
InChIInChI=1S/C12H18O4/c1-9-5-3-2-4-6-10(13)11(14)7-8-12(15)16-9/h7-10,13H,2-6H2,1H3/b8-7+
InChIKeyOFRQIORIBGXHBF-BQYQJAHWSA-N
MW226.27 g/mol
LogP1.37
Rot. Bonds

About (3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione

(3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione (PubChem CID 10966200) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione.

Molecular Properties

Compound Name(3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione
PubChem CID10966200
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione
SMILESCC1CCCCCC(O)C(=O)/C=C/C(=O)O1
InChIInChI=1S/C12H18O4/c1-9-5-3-2-4-6-10(13)11(14)7-8-12(15)16-9/h7-10,13H,2-6H2,1H3/b8-7+
InChIKeyOFRQIORIBGXHBF-BQYQJAHWSA-N
XLogP1.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione?
The IUPAC name of (3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione (CID 10966200) is (3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione.
What is the SMILES notation for (3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione?
The canonical SMILES for (3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione is CC1CCCCCC(O)C(=O)/C=C/C(=O)O1.
What is the InChIKey of (3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione?
The InChIKey is OFRQIORIBGXHBF-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H18O4/c1-9-5-3-2-4-6-10(13)11(14)7-8-12(15)16-9/h7-10,13H,2-6H2,1H3/b8-7+.
What are the key properties of (3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione?
(3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione has a molecular weight of 226.27 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione is sourced from PubChem (CID 10966200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).