(1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene

C18H24O6 — CID 11067674

IUPAC(1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene
SMILESCOc1cc2c(cc1OC)CO[C@H]1[C@H]3OC(C)(C)O[C@H]3O[C@@H]1CC2
InChIInChI=1S/C18H24O6/c1-18(2)23-16-15-12(22-17(16)24-18)6-5-10-7-13(19-3)14(20-4)8-11(10)9-21-15/h7-8,12,15-17H,5-6,9H2,1-4H3/t12-,15-,16-,17-/m1/s1
InChIKeyGJWQQPMRPVSNAO-BASLNEPJSA-N
MW336.38 g/mol
LogP2.41
Rot. Bonds2

About (1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene

(1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene (PubChem CID 11067674) has the molecular formula C18H24O6 and a molecular weight of 336.38 g/mol. Its IUPAC name is (1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene.

Molecular Properties

Compound Name(1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene
PubChem CID11067674
Molecular FormulaC18H24O6
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name(1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene
SMILESCOc1cc2c(cc1OC)CO[C@H]1[C@H]3OC(C)(C)O[C@H]3O[C@@H]1CC2
InChIInChI=1S/C18H24O6/c1-18(2)23-16-15-12(22-17(16)24-18)6-5-10-7-13(19-3)14(20-4)8-11(10)9-21-15/h7-8,12,15-17H,5-6,9H2,1-4H3/t12-,15-,16-,17-/m1/s1
InChIKeyGJWQQPMRPVSNAO-BASLNEPJSA-N
XLogP2.41
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene?
The IUPAC name of (1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene (CID 11067674) is (1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene.
What is the SMILES notation for (1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene?
The canonical SMILES for (1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene is COc1cc2c(cc1OC)CO[C@H]1[C@H]3OC(C)(C)O[C@H]3O[C@@H]1CC2.
What is the InChIKey of (1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene?
The InChIKey is GJWQQPMRPVSNAO-BASLNEPJSA-N. The full InChI is InChI=1S/C18H24O6/c1-18(2)23-16-15-12(22-17(16)24-18)6-5-10-7-13(19-3)14(20-4)8-11(10)9-21-15/h7-8,12,15-17H,5-6,9H2,1-4H3/t12-,15-,16-,17-/m1/s1.
What are the key properties of (1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene?
(1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene has a molecular weight of 336.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12R,13R,17R)-6,7-dimethoxy-15,15-dimethyl-11,14,16,18-tetraoxatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene is sourced from PubChem (CID 11067674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).