3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene

C36H42O2 — CID 59811704

IUPAC3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene
SMILESCc1cc2c(C(C)C)c(C)c(C)c3c2c(c1-c1c(C)cc2c(C(C)C)c(C)c(C)c4c2c1OC4C)OC3C
InChIInChI=1S/C36H42O2/c1-15(2)27-19(7)21(9)31-23(11)37-35-29(17(5)13-25(27)33(31)35)30-18(6)14-26-28(16(3)4)20(8)22(10)32-24(12)38-36(30)34(26)32/h13-16,23-24H,1-12H3
InChIKeyIPZIJGOCJDDEGK-UHFFFAOYSA-N
MW506.73 g/mol
LogP10.66
Rot. Bonds3

About 3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene

3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene (PubChem CID 59811704) has the molecular formula C36H42O2 and a molecular weight of 506.73 g/mol. Its IUPAC name is 3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene.

Molecular Properties

Compound Name3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene
PubChem CID59811704
Molecular FormulaC36H42O2
Molecular Weight506.73 g/mol
Exact Mass506.32
IUPAC Name3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene
SMILESCc1cc2c(C(C)C)c(C)c(C)c3c2c(c1-c1c(C)cc2c(C(C)C)c(C)c(C)c4c2c1OC4C)OC3C
InChIInChI=1S/C36H42O2/c1-15(2)27-19(7)21(9)31-23(11)37-35-29(17(5)13-25(27)33(31)35)30-18(6)14-26-28(16(3)4)20(8)22(10)32-24(12)38-36(30)34(26)32/h13-16,23-24H,1-12H3
InChIKeyIPZIJGOCJDDEGK-UHFFFAOYSA-N
XLogP10.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.73
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene?
The IUPAC name of 3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene (CID 59811704) is 3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene.
What is the SMILES notation for 3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene?
The canonical SMILES for 3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene is Cc1cc2c(C(C)C)c(C)c(C)c3c2c(c1-c1c(C)cc2c(C(C)C)c(C)c(C)c4c2c1OC4C)OC3C.
What is the InChIKey of 3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene?
The InChIKey is IPZIJGOCJDDEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42O2/c1-15(2)27-19(7)21(9)31-23(11)37-35-29(17(5)13-25(27)33(31)35)30-18(6)14-26-28(16(3)4)20(8)22(10)32-24(12)38-36(30)34(26)32/h13-16,23-24H,1-12H3.
What are the key properties of 3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene?
3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene has a molecular weight of 506.73 g/mol, XLogP of 10.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,10-tetramethyl-7-propan-2-yl-11-(3,5,6,10-tetramethyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-11-yl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene is sourced from PubChem (CID 59811704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).