(9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione

C12H18O3 — CID 70880070

IUPAC(9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione
SMILESC[C@H]1OC(=O)CCCCCC/C=C/C1=O
InChIInChI=1S/C12H18O3/c1-10-11(13)8-6-4-2-3-5-7-9-12(14)15-10/h6,8,10H,2-5,7,9H2,1H3/b8-6+/t10-/m1/s1
InChIKeyJUZSLCVNWWYGTJ-QEHWCHDUSA-N
MW210.27 g/mol
LogP2.40
Rot. Bonds

About (9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione

(9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione (PubChem CID 70880070) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione.

Molecular Properties

Compound Name(9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione
PubChem CID70880070
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione
SMILESC[C@H]1OC(=O)CCCCCC/C=C/C1=O
InChIInChI=1S/C12H18O3/c1-10-11(13)8-6-4-2-3-5-7-9-12(14)15-10/h6,8,10H,2-5,7,9H2,1H3/b8-6+/t10-/m1/s1
InChIKeyJUZSLCVNWWYGTJ-QEHWCHDUSA-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

3(2H)-Furanone, 5-methyl-2-octyl-
CID 529383
3(2H)-Furanone, 2-hexyl-5-methyl-
CID 566912
ethyl (Z)-2-oxooctadec-9-enoate
CID 9862069
Ethyl 2-oxononadec-10-enoate
CID 9819245
10-Oxo-11-octadecen-13-olide
CID 9882599
(E)-ethyl 8-oxohexadec-9-enoate
CID 10266599
(E)-ethyl 8-oxooctadec-9-enoate
CID 11088644
Patulolide A
CID 6438683
Patulolide B
CID 6444101
Sacrolide A
CID 101883941
[(2S)-5-oxo-2H-pyran-2-yl]methyl octanoate
CID 145961807
Methyl-12-oxo-trans-10-octadecenoate
CID 5284424

Frequently Asked Questions

What is the IUPAC name of (9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione?
The IUPAC name of (9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione (CID 70880070) is (9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione.
What is the SMILES notation for (9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione?
The canonical SMILES for (9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione is C[C@H]1OC(=O)CCCCCC/C=C/C1=O.
What is the InChIKey of (9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione?
The InChIKey is JUZSLCVNWWYGTJ-QEHWCHDUSA-N. The full InChI is InChI=1S/C12H18O3/c1-10-11(13)8-6-4-2-3-5-7-9-12(14)15-10/h6,8,10H,2-5,7,9H2,1H3/b8-6+/t10-/m1/s1.
What are the key properties of (9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione?
(9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-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 (9E,12R)-12-methyl-1-oxacyclododec-9-ene-2,11-dione is sourced from PubChem (CID 70880070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).