(4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one

C12H18O2 — CID 56936046

IUPAC(4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one
SMILESC[C@@H]1CCC/C=C\C/C=C\CC(=O)O1
InChIInChI=1S/C12H18O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h2-3,6,8,11H,4-5,7,9-10H2,1H3/b3-2-,8-6-/t11-/m1/s1
InChIKeyFAMIQKMUIARKKU-GTHUGJSGSA-N
MW194.27 g/mol
LogP2.99
Rot. Bonds

About (4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one

(4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one (PubChem CID 56936046) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one.

Molecular Properties

Compound Name(4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one
PubChem CID56936046
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one
SMILESC[C@@H]1CCC/C=C\C/C=C\CC(=O)O1
InChIInChI=1S/C12H18O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h2-3,6,8,11H,4-5,7,9-10H2,1H3/b3-2-,8-6-/t11-/m1/s1
InChIKeyFAMIQKMUIARKKU-GTHUGJSGSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 5352543
CID 5352543
CID 5367682
CID 5367682
CID 5352838
CID 5352838
CID 11041412
CID 11041412
CID 5363527
CID 5363527
CID 5352975
CID 5352975
CID 5363389
CID 5363389
CID 71586960
CID 71586960
CID 5367369
CID 5367369
CID 5352428
CID 5352428
CID 5362583
CID 5362583
CID 5352830
CID 5352830

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one?
The IUPAC name of (4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one (CID 56936046) is (4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one.
What is the SMILES notation for (4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one?
The canonical SMILES for (4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one is C[C@@H]1CCC/C=C\C/C=C\CC(=O)O1.
What is the InChIKey of (4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one?
The InChIKey is FAMIQKMUIARKKU-GTHUGJSGSA-N. The full InChI is InChI=1S/C12H18O2/c1-11-9-7-5-3-2-4-6-8-10-12(13)14-11/h2-3,6,8,11H,4-5,7,9-10H2,1H3/b3-2-,8-6-/t11-/m1/s1.
What are the key properties of (4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one?
(4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one has a molecular weight of 194.27 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,12R)-12-methyl-1-oxacyclododeca-4,7-dien-2-one is sourced from PubChem (CID 56936046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).