6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene

C20H24O2 — CID 11985892

IUPAC6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
SMILESCOc1cc2c(C)c(c1)CCc1cc(OC)cc(c1C)CC2
InChIInChI=1S/C20H24O2/c1-13-15-5-7-17-11-20(22-4)12-18(14(17)2)8-6-16(13)10-19(9-15)21-3/h9-12H,5-8H2,1-4H3
InChIKeyVSSAPWLETUYEFK-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.20
Rot. Bonds2

About 6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene

6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene (PubChem CID 11985892) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene.

Molecular Properties

Compound Name6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
PubChem CID11985892
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
SMILESCOc1cc2c(C)c(c1)CCc1cc(OC)cc(c1C)CC2
InChIInChI=1S/C20H24O2/c1-13-15-5-7-17-11-20(22-4)12-18(14(17)2)8-6-16(13)10-19(9-15)21-3/h9-12H,5-8H2,1-4H3
InChIKeyVSSAPWLETUYEFK-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene?
The IUPAC name of 6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene (CID 11985892) is 6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene.
What is the SMILES notation for 6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene?
The canonical SMILES for 6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene is COc1cc2c(C)c(c1)CCc1cc(OC)cc(c1C)CC2.
What is the InChIKey of 6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene?
The InChIKey is VSSAPWLETUYEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-13-15-5-7-17-11-20(22-4)12-18(14(17)2)8-6-16(13)10-19(9-15)21-3/h9-12H,5-8H2,1-4H3.
What are the key properties of 6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene?
6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene has a molecular weight of 296.41 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene is sourced from PubChem (CID 11985892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).