2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione

C20H32O6 — CID 163028973

IUPAC2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
SMILESCC1CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O1
InChIInChI=1S/C20H32O6/c1-11-9-15-5-7-18(25-15)14(4)20(22)24-12(2)10-16-6-8-17(26-16)13(3)19(21)23-11/h11-18H,5-10H2,1-4H3
InChIKeyPQDLJCPCZJBEBP-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.01
Rot. Bonds

About 2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione

2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione (PubChem CID 163028973) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is 2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione.

Molecular Properties

Compound Name2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
PubChem CID163028973
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Name2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
SMILESCC1CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O1
InChIInChI=1S/C20H32O6/c1-11-9-15-5-7-18(25-15)14(4)20(22)24-12(2)10-16-6-8-17(26-16)13(3)19(21)23-11/h11-18H,5-10H2,1-4H3
InChIKeyPQDLJCPCZJBEBP-UHFFFAOYSA-N
XLogP3.01
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione?
The IUPAC name of 2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione (CID 163028973) is 2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione.
What is the SMILES notation for 2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione?
The canonical SMILES for 2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione is CC1CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O1.
What is the InChIKey of 2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione?
The InChIKey is PQDLJCPCZJBEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O6/c1-11-9-15-5-7-18(25-15)14(4)20(22)24-12(2)10-16-6-8-17(26-16)13(3)19(21)23-11/h11-18H,5-10H2,1-4H3.
What are the key properties of 2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione?
2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione has a molecular weight of 368.47 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,11,14-tetramethyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione is sourced from PubChem (CID 163028973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).