2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene

C32H40O4 — CID 3395619

IUPAC2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene
SMILESCCC1(C)c2ccc(o2)C(C)(CC)c2ccc(o2)C(C)(CC)c2ccc(o2)C(C)(CC)c2ccc1o2
InChIInChI=1S/C32H40O4/c1-9-29(5)21-13-15-23(33-21)30(6,10-2)25-17-19-27(35-25)32(8,12-4)28-20-18-26(36-28)31(7,11-3)24-16-14-22(29)34-24/h13-20H,9-12H2,1-8H3
InChIKeyMKDWUNHBQOPTAI-UHFFFAOYSA-N
MW488.67 g/mol
LogP9.24
Rot. Bonds4

About 2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene

2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene (PubChem CID 3395619) has the molecular formula C32H40O4 and a molecular weight of 488.67 g/mol. Its IUPAC name is 2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene.

Molecular Properties

Compound Name2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene
PubChem CID3395619
Molecular FormulaC32H40O4
Molecular Weight488.67 g/mol
Exact Mass488.29
IUPAC Name2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene
SMILESCCC1(C)c2ccc(o2)C(C)(CC)c2ccc(o2)C(C)(CC)c2ccc(o2)C(C)(CC)c2ccc1o2
InChIInChI=1S/C32H40O4/c1-9-29(5)21-13-15-23(33-21)30(6,10-2)25-17-19-27(35-25)32(8,12-4)28-20-18-26(36-28)31(7,11-3)24-16-14-22(29)34-24/h13-20H,9-12H2,1-8H3
InChIKeyMKDWUNHBQOPTAI-UHFFFAOYSA-N
XLogP9.24
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.67
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene?
The IUPAC name of 2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene (CID 3395619) is 2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene.
What is the SMILES notation for 2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene?
The canonical SMILES for 2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene is CCC1(C)c2ccc(o2)C(C)(CC)c2ccc(o2)C(C)(CC)c2ccc(o2)C(C)(CC)c2ccc1o2.
What is the InChIKey of 2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene?
The InChIKey is MKDWUNHBQOPTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O4/c1-9-29(5)21-13-15-23(33-21)30(6,10-2)25-17-19-27(35-25)32(8,12-4)28-20-18-26(36-28)31(7,11-3)24-16-14-22(29)34-24/h13-20H,9-12H2,1-8H3.
What are the key properties of 2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene?
2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene has a molecular weight of 488.67 g/mol, XLogP of 9.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,12,17-tetraethyl-2,7,12,17-tetramethyl-21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene is sourced from PubChem (CID 3395619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).