8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol

C20H24O4 — CID 130206762

IUPAC8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol
SMILESCC1(C)CCC(C)(C)c2cc(O)c(O)cc2-c2cc(O)c(O)cc21
InChIInChI=1S/C20H24O4/c1-19(2)5-6-20(3,4)14-10-18(24)16(22)8-12(14)11-7-15(21)17(23)9-13(11)19/h7-10,21-24H,5-6H2,1-4H3
InChIKeyZBZKILLMKDIPFG-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.53
Rot. Bonds

About 8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol

8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol (PubChem CID 130206762) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol.

Molecular Properties

Compound Name8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol
PubChem CID130206762
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol
SMILESCC1(C)CCC(C)(C)c2cc(O)c(O)cc2-c2cc(O)c(O)cc21
InChIInChI=1S/C20H24O4/c1-19(2)5-6-20(3,4)14-10-18(24)16(22)8-12(14)11-7-15(21)17(23)9-13(11)19/h7-10,21-24H,5-6H2,1-4H3
InChIKeyZBZKILLMKDIPFG-UHFFFAOYSA-N
XLogP4.53
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol?
The IUPAC name of 8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol (CID 130206762) is 8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol.
What is the SMILES notation for 8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol?
The canonical SMILES for 8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol is CC1(C)CCC(C)(C)c2cc(O)c(O)cc2-c2cc(O)c(O)cc21.
What is the InChIKey of 8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol?
The InChIKey is ZBZKILLMKDIPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-19(2)5-6-20(3,4)14-10-18(24)16(22)8-12(14)11-7-15(21)17(23)9-13(11)19/h7-10,21-24H,5-6H2,1-4H3.
What are the key properties of 8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol?
8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol has a molecular weight of 328.41 g/mol, XLogP of 4.53, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,11,11-tetramethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol is sourced from PubChem (CID 130206762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).