2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene

C21H24O2 — CID 69300595

IUPAC2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene
SMILESCC1COc2ccc(cc2)C(C)(C)c2ccc(c3c2C(C)C3)O1
InChIInChI=1S/C21H24O2/c1-13-11-17-19-10-9-18(20(13)17)21(3,4)15-5-7-16(8-6-15)22-12-14(2)23-19/h5-10,13-14H,11-12H2,1-4H3
InChIKeyHFMRHTGAXPXVPU-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.83
Rot. Bonds

About 2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene

2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene (PubChem CID 69300595) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene.

Molecular Properties

Compound Name2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene
PubChem CID69300595
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene
SMILESCC1COc2ccc(cc2)C(C)(C)c2ccc(c3c2C(C)C3)O1
InChIInChI=1S/C21H24O2/c1-13-11-17-19-10-9-18(20(13)17)21(3,4)15-5-7-16(8-6-15)22-12-14(2)23-19/h5-10,13-14H,11-12H2,1-4H3
InChIKeyHFMRHTGAXPXVPU-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene?
The IUPAC name of 2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene (CID 69300595) is 2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene.
What is the SMILES notation for 2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene?
The canonical SMILES for 2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene is CC1COc2ccc(cc2)C(C)(C)c2ccc(c3c2C(C)C3)O1.
What is the InChIKey of 2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene?
The InChIKey is HFMRHTGAXPXVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-13-11-17-19-10-9-18(20(13)17)21(3,4)15-5-7-16(8-6-15)22-12-14(2)23-19/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of 2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene?
2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene has a molecular weight of 308.42 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,9,14-tetramethyl-7,10-dioxatetracyclo[9.4.2.23,6.012,15]nonadeca-1(15),3(19),4,6(18),11,16-hexaene is sourced from PubChem (CID 69300595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).