4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one

C18H30O5 — CID 163147076

IUPAC4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
SMILESCOC1C=CC(C)(O)C(O)CC(=O)OC(C)C(C)CCC=C1C
InChIInChI=1S/C18H30O5/c1-12-7-6-8-13(2)15(22-5)9-10-18(4,21)16(19)11-17(20)23-14(12)3/h8-10,12,14-16,19,21H,6-7,11H2,1-5H3
InChIKeyLZIHYJALJHKOOV-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.37
Rot. Bonds1

About 4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one

4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one (PubChem CID 163147076) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is 4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
PubChem CID163147076
Molecular FormulaC18H30O5
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
SMILESCOC1C=CC(C)(O)C(O)CC(=O)OC(C)C(C)CCC=C1C
InChIInChI=1S/C18H30O5/c1-12-7-6-8-13(2)15(22-5)9-10-18(4,21)16(19)11-17(20)23-14(12)3/h8-10,12,14-16,19,21H,6-7,11H2,1-5H3
InChIKeyLZIHYJALJHKOOV-UHFFFAOYSA-N
XLogP2.37
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,6E,8S,9E,13R,14R)-4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
CID 169491677
(5S,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
CID 10615177
(5S,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
CID 10781482
(5R,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
CID 171319017
(3Z,5R,6Z,8S,9Z,13S,14R)-5,8-dihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
CID 6444600
(3E,5R,6E,8S,9E,11R,13S,14R)-5,11-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
CID 162881348
(3E,5R,6E,8S,9E,13S,14R)-5,11-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
CID 162881349
5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one
CID 163179942
(4S,5R)-4,5-dihydroxy-4-methylcyclohex-2-en-1-one
CID 164781620
5,8-dihydroxy-9-(hydroxymethyl)-5,13,14-trimethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
CID 85240859
(3Z,5R,8S,9E,13S,14R)-5,8-dihydroxy-9-(hydroxymethyl)-5,13,14-trimethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
CID 177438722
5-hydroxy-4-methoxy-6-methyloxan-2-one
CID 18534399

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one?
The IUPAC name of 4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one (CID 163147076) is 4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one.
What is the SMILES notation for 4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one?
The canonical SMILES for 4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one is COC1C=CC(C)(O)C(O)CC(=O)OC(C)C(C)CCC=C1C.
What is the InChIKey of 4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one?
The InChIKey is LZIHYJALJHKOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O5/c1-12-7-6-8-13(2)15(22-5)9-10-18(4,21)16(19)11-17(20)23-14(12)3/h8-10,12,14-16,19,21H,6-7,11H2,1-5H3.
What are the key properties of 4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one?
4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one has a molecular weight of 326.43 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one is sourced from PubChem (CID 163147076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).