5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione

C28H20O2 — CID 89104255

IUPAC5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione
SMILESCc1ccc2c(c1)C(=O)c1ccc3c4c(ccc-2c14)-c1ccc(C(C)C)cc1C3=O
InChIInChI=1S/C28H20O2/c1-14(2)16-5-7-18-20-9-8-19-17-6-4-15(3)12-23(17)27(29)21-10-11-22(26(20)25(19)21)28(30)24(18)13-16/h4-14H,1-3H3
InChIKeyODKKVCKNQZRGCZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.69
Rot. Bonds1

About 5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione

5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione (PubChem CID 89104255) has the molecular formula C28H20O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione.

Molecular Properties

Compound Name5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione
PubChem CID89104255
Molecular FormulaC28H20O2
Molecular Weight388.47 g/mol
Exact Mass388.15
IUPAC Name5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione
SMILESCc1ccc2c(c1)C(=O)c1ccc3c4c(ccc-2c14)-c1ccc(C(C)C)cc1C3=O
InChIInChI=1S/C28H20O2/c1-14(2)16-5-7-18-20-9-8-19-17-6-4-15(3)12-23(17)27(29)21-10-11-22(26(20)25(19)21)28(30)24(18)13-16/h4-14H,1-3H3
InChIKeyODKKVCKNQZRGCZ-UHFFFAOYSA-N
XLogP6.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione?
The IUPAC name of 5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione (CID 89104255) is 5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione.
What is the SMILES notation for 5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione?
The canonical SMILES for 5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione is Cc1ccc2c(c1)C(=O)c1ccc3c4c(ccc-2c14)-c1ccc(C(C)C)cc1C3=O.
What is the InChIKey of 5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione?
The InChIKey is ODKKVCKNQZRGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O2/c1-14(2)16-5-7-18-20-9-8-19-17-6-4-15(3)12-23(17)27(29)21-10-11-22(26(20)25(19)21)28(30)24(18)13-16/h4-14H,1-3H3.
What are the key properties of 5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione?
5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione has a molecular weight of 388.47 g/mol, XLogP of 6.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-16-propan-2-ylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-8,13-dione is sourced from PubChem (CID 89104255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).