5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one

C18H28O5 — CID 163179942

IUPAC5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one
SMILESC=C1C(O)CCC(C)C(C)OC(=O)C=CC(C)(O)C=CC1OC
InChIInChI=1S/C18H28O5/c1-12-6-7-15(19)13(2)16(22-5)8-10-18(4,21)11-9-17(20)23-14(12)3/h8-12,14-16,19,21H,2,6-7H2,1,3-5H3
InChIKeyYSCUFWGWXDIJNP-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.14
Rot. Bonds1

About 5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one

5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one (PubChem CID 163179942) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is 5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one.

Molecular Properties

Compound Name5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one
PubChem CID163179942
Molecular FormulaC18H28O5
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Name5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one
SMILESC=C1C(O)CCC(C)C(C)OC(=O)C=CC(C)(O)C=CC1OC
InChIInChI=1S/C18H28O5/c1-12-6-7-15(19)13(2)16(22-5)8-10-18(4,21)11-9-17(20)23-14(12)3/h8-12,14-16,19,21H,2,6-7H2,1,3-5H3
InChIKeyYSCUFWGWXDIJNP-UHFFFAOYSA-N
XLogP2.14
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-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,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
CID 171319017
(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
(1R,4S,5R,8E,10R,11E,13S,14R)-10-hydroxy-13-methoxy-4,5,10,14-tetramethyl-6,15-dioxabicyclo[12.1.0]pentadeca-8,11-dien-7-one
CID 162975402
(4S,5R,8E,10R)-10-hydroxy-13-methoxy-4,5,10,14-tetramethyl-6,15-dioxabicyclo[12.1.0]pentadeca-8,11-dien-7-one
CID 177475541
(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
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
(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
4,5-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
CID 163147076
(5S,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
CID 10781482
(5S,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
CID 10615177

Frequently Asked Questions

What is the IUPAC name of 5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one?
The IUPAC name of 5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one (CID 163179942) is 5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one.
What is the SMILES notation for 5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one?
The canonical SMILES for 5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one is C=C1C(O)CCC(C)C(C)OC(=O)C=CC(C)(O)C=CC1OC.
What is the InChIKey of 5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one?
The InChIKey is YSCUFWGWXDIJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O5/c1-12-6-7-15(19)13(2)16(22-5)8-10-18(4,21)11-9-17(20)23-14(12)3/h8-12,14-16,19,21H,2,6-7H2,1,3-5H3.
What are the key properties of 5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one?
5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one has a molecular weight of 324.42 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one is sourced from PubChem (CID 163179942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).