8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol

C19H24O5 — CID 16723195

IUPAC8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol
SMILESCOc1cc2c(c(OC)c1OC)C1(O)CCCC=CC13OC3CC2
InChIInChI=1S/C19H24O5/c1-21-13-11-12-7-8-14-19(24-14)10-6-4-5-9-18(19,20)15(12)17(23-3)16(13)22-2/h6,10-11,14,20H,4-5,7-9H2,1-3H3
InChIKeyQHOXSKUSZFWIEC-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.72
Rot. Bonds3

About 8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol

8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol (PubChem CID 16723195) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is 8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol.

Molecular Properties

Compound Name8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol
PubChem CID16723195
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol
SMILESCOc1cc2c(c(OC)c1OC)C1(O)CCCC=CC13OC3CC2
InChIInChI=1S/C19H24O5/c1-21-13-11-12-7-8-14-19(24-14)10-6-4-5-9-18(19,20)15(12)17(23-3)16(13)22-2/h6,10-11,14,20H,4-5,7-9H2,1-3H3
InChIKeyQHOXSKUSZFWIEC-UHFFFAOYSA-N
XLogP2.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol?
The IUPAC name of 8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol (CID 16723195) is 8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol.
What is the SMILES notation for 8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol?
The canonical SMILES for 8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol is COc1cc2c(c(OC)c1OC)C1(O)CCCC=CC13OC3CC2.
What is the InChIKey of 8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol?
The InChIKey is QHOXSKUSZFWIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O5/c1-21-13-11-12-7-8-14-19(24-14)10-6-4-5-9-18(19,20)15(12)17(23-3)16(13)22-2/h6,10-11,14,20H,4-5,7-9H2,1-3H3.
What are the key properties of 8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol?
8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol has a molecular weight of 332.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,10-trimethoxy-2-oxatetracyclo[10.5.0.01,3.06,11]heptadeca-6,8,10,16-tetraen-12-ol is sourced from PubChem (CID 16723195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).