(8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione

C15H22O4 — CID 139589630

IUPAC(8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione
SMILESCO[C@@H]1C=CC(=O)CCC(=O)O[C@@H](C)CCC/C=C\1
InChIInChI=1S/C15H22O4/c1-12-6-4-3-5-7-14(18-2)10-8-13(16)9-11-15(17)19-12/h5,7-8,10,12,14H,3-4,6,9,11H2,1-2H3/b7-5-,10-8?/t12-,14-/m0/s1
InChIKeyILUIRKCKSQCXHD-RQMUNBLCSA-N
MW266.34 g/mol
LogP2.58
Rot. Bonds1

About (8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione

(8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione (PubChem CID 139589630) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione.

Molecular Properties

Compound Name(8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione
PubChem CID139589630
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione
SMILESCO[C@@H]1C=CC(=O)CCC(=O)O[C@@H](C)CCC/C=C\1
InChIInChI=1S/C15H22O4/c1-12-6-4-3-5-7-14(18-2)10-8-13(16)9-11-15(17)19-12/h5,7-8,10,12,14H,3-4,6,9,11H2,1-2H3/b7-5-,10-8?/t12-,14-/m0/s1
InChIKeyILUIRKCKSQCXHD-RQMUNBLCSA-N
XLogP2.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione?
The IUPAC name of (8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione (CID 139589630) is (8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione.
What is the SMILES notation for (8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione?
The canonical SMILES for (8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione is CO[C@@H]1C=CC(=O)CCC(=O)O[C@@H](C)CCC/C=C\1.
What is the InChIKey of (8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione?
The InChIKey is ILUIRKCKSQCXHD-RQMUNBLCSA-N. The full InChI is InChI=1S/C15H22O4/c1-12-6-4-3-5-7-14(18-2)10-8-13(16)9-11-15(17)19-12/h5,7-8,10,12,14H,3-4,6,9,11H2,1-2H3/b7-5-,10-8?/t12-,14-/m0/s1.
What are the key properties of (8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione?
(8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione has a molecular weight of 266.34 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-6,9-diene-2,5-dione is sourced from PubChem (CID 139589630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).