(3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione

C12H18O3 — CID 6444101

IUPAC(3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
SMILESC[C@@H]1CCCCCCC(=O)/C=C\C(=O)O1
InChIInChI=1S/C12H18O3/c1-10-6-4-2-3-5-7-11(13)8-9-12(14)15-10/h8-10H,2-7H2,1H3/b9-8-/t10-/m1/s1
InChIKeyXETYGXGLGYXEIT-HSTULFTRSA-N
MW210.27 g/mol
LogP2.40
Rot. Bonds

About (3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione

(3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione (PubChem CID 6444101) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione.

Molecular Properties

Compound Name(3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
PubChem CID6444101
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
SMILESC[C@@H]1CCCCCCC(=O)/C=C\C(=O)O1
InChIInChI=1S/C12H18O3/c1-10-6-4-2-3-5-7-11(13)8-9-12(14)15-10/h8-10H,2-7H2,1H3/b9-8-/t10-/m1/s1
InChIKeyXETYGXGLGYXEIT-HSTULFTRSA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
2-Hexenyl octanoate, (E)-
CID 5365136
5-hexylfuran-2(5H)-one
CID 102833
12(13)Ep-9-KODE
CID 5283007
9,10-Epoxy-13-oxo-11-octadecenoic acid
CID 5283017
Epoxymurin-A
CID 5281161
Muricadienin
CID 101949818
MKN-003a
CID 11075054
(8R,16R)-(-)-pyrenophorin
CID 11109605
(3Z,11Z)-8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadeca-3,11-diene-2,5,10,13-tetrone
CID 6438429
Epomusenin A
CID 10507050
5-Octyl-2(5H)-furanone
CID 86623

Frequently Asked Questions

What is the IUPAC name of (3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione?
The IUPAC name of (3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione (CID 6444101) is (3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione.
What is the SMILES notation for (3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione?
The canonical SMILES for (3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione is C[C@@H]1CCCCCCC(=O)/C=C\C(=O)O1.
What is the InChIKey of (3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione?
The InChIKey is XETYGXGLGYXEIT-HSTULFTRSA-N. The full InChI is InChI=1S/C12H18O3/c1-10-6-4-2-3-5-7-11(13)8-9-12(14)15-10/h8-10H,2-7H2,1H3/b9-8-/t10-/m1/s1.
What are the key properties of (3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione?
(3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione has a molecular weight of 210.27 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione is sourced from PubChem (CID 6444101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).