5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene]

C28H36O6 — CID 139038251

IUPAC5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene]
SMILESCOc1cc2c(cc1OC)CC1Cc3cc(OC)c(OC)cc3CC(C2)C12OCC(C)(C)CO2
InChIInChI=1S/C28H36O6/c1-27(2)15-33-28(34-16-27)21-7-17-11-23(29-3)24(30-4)12-18(17)8-22(28)10-20-14-26(32-6)25(31-5)13-19(20)9-21/h11-14,21-22H,7-10,15-16H2,1-6H3
InChIKeyIMSQSEBESWFRIQ-UHFFFAOYSA-N
MW468.59 g/mol
LogP4.62
Rot. Bonds4

About 5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene]

5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene] (PubChem CID 139038251) has the molecular formula C28H36O6 and a molecular weight of 468.59 g/mol. Its IUPAC name is 5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene].

Molecular Properties

Compound Name5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene]
PubChem CID139038251
Molecular FormulaC28H36O6
Molecular Weight468.59 g/mol
Exact Mass468.25
IUPAC Name5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene]
SMILESCOc1cc2c(cc1OC)CC1Cc3cc(OC)c(OC)cc3CC(C2)C12OCC(C)(C)CO2
InChIInChI=1S/C28H36O6/c1-27(2)15-33-28(34-16-27)21-7-17-11-23(29-3)24(30-4)12-18(17)8-22(28)10-20-14-26(32-6)25(31-5)13-19(20)9-21/h11-14,21-22H,7-10,15-16H2,1-6H3
InChIKeyIMSQSEBESWFRIQ-UHFFFAOYSA-N
XLogP4.62
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene]?
The IUPAC name of 5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene] (CID 139038251) is 5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene].
What is the SMILES notation for 5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene]?
The canonical SMILES for 5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene] is COc1cc2c(cc1OC)CC1Cc3cc(OC)c(OC)cc3CC(C2)C12OCC(C)(C)CO2.
What is the InChIKey of 5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene]?
The InChIKey is IMSQSEBESWFRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O6/c1-27(2)15-33-28(34-16-27)21-7-17-11-23(29-3)24(30-4)12-18(17)8-22(28)10-20-14-26(32-6)25(31-5)13-19(20)9-21/h11-14,21-22H,7-10,15-16H2,1-6H3.
What are the key properties of 5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene]?
5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene] has a molecular weight of 468.59 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene] is sourced from PubChem (CID 139038251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).