3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene

C24H28O2 — CID 11739540

IUPAC3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene
SMILESCC1=COc2c(C(C)(C)C)cc3c4c(c(C(C)(C)C)cc1c24)OC=C3C
InChIInChI=1S/C24H28O2/c1-13-11-25-21-18(24(6,7)8)10-16-14(2)12-26-22-17(23(3,4)5)9-15(13)19(21)20(16)22/h9-12H,1-8H3
InChIKeyWTROWJKSCOUDLZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP6.94
Rot. Bonds

About 3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene

3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene (PubChem CID 11739540) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene.

Molecular Properties

Compound Name3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene
PubChem CID11739540
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene
SMILESCC1=COc2c(C(C)(C)C)cc3c4c(c(C(C)(C)C)cc1c24)OC=C3C
InChIInChI=1S/C24H28O2/c1-13-11-25-21-18(24(6,7)8)10-16-14(2)12-26-22-17(23(3,4)5)9-15(13)19(21)20(16)22/h9-12H,1-8H3
InChIKeyWTROWJKSCOUDLZ-UHFFFAOYSA-N
XLogP6.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene with MolForge

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Related Compounds

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CID 139266105
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
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CID 87485865
1,2-ditert-butyl-3,5-dimethylbenzene
CID 159753674
1,3-ditert-butyl-2,5-dimethylbenzene;ethane
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CID 43154967
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silver 2,4,8,10-tetratert-butyl-6-oxidobenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 71573958

Frequently Asked Questions

What is the IUPAC name of 3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene?
The IUPAC name of 3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene (CID 11739540) is 3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene.
What is the SMILES notation for 3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene?
The canonical SMILES for 3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene is CC1=COc2c(C(C)(C)C)cc3c4c(c(C(C)(C)C)cc1c24)OC=C3C.
What is the InChIKey of 3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene?
The InChIKey is WTROWJKSCOUDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-13-11-25-21-18(24(6,7)8)10-16-14(2)12-26-22-17(23(3,4)5)9-15(13)19(21)20(16)22/h9-12H,1-8H3.
What are the key properties of 3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene?
3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene has a molecular weight of 348.49 g/mol, XLogP of 6.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-ditert-butyl-7,14-dimethyl-5,12-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,6,8,10,13,15-heptaene is sourced from PubChem (CID 11739540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).