4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one

C20H20O5 — CID 102205474

IUPAC4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
SMILESCOc1cc2c(C)cc(=O)c3cc(OC)c(OC)cc3c2cc1OC
InChIInChI=1S/C20H20O5/c1-11-6-16(21)15-10-20(25-5)19(24-4)9-14(15)13-8-18(23-3)17(22-2)7-12(11)13/h6-10H,1-5H3
InChIKeyBCYYMZGTLUTIPK-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.70
Rot. Bonds4

About 4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one

4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one (PubChem CID 102205474) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one.

Molecular Properties

Compound Name4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
PubChem CID102205474
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
SMILESCOc1cc2c(C)cc(=O)c3cc(OC)c(OC)cc3c2cc1OC
InChIInChI=1S/C20H20O5/c1-11-6-16(21)15-10-20(25-5)19(24-4)9-14(15)13-8-18(23-3)17(22-2)7-12(11)13/h6-10H,1-5H3
InChIKeyBCYYMZGTLUTIPK-UHFFFAOYSA-N
XLogP3.70
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
The IUPAC name of 4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one (CID 102205474) is 4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one.
What is the SMILES notation for 4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
The canonical SMILES for 4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one is COc1cc2c(C)cc(=O)c3cc(OC)c(OC)cc3c2cc1OC.
What is the InChIKey of 4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
The InChIKey is BCYYMZGTLUTIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-11-6-16(21)15-10-20(25-5)19(24-4)9-14(15)13-8-18(23-3)17(22-2)7-12(11)13/h6-10H,1-5H3.
What are the key properties of 4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one has a molecular weight of 340.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,13,14-tetramethoxy-10-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one is sourced from PubChem (CID 102205474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).