5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione

C20H32O4 — CID 54342539

IUPAC5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione
SMILESCC1CCC(C)COC(=O)C2=C(CC(C)CCC(C)C2)C(=O)OC1
InChIInChI=1S/C20H32O4/c1-13-5-6-14(2)10-18-17(9-13)19(21)23-11-15(3)7-8-16(4)12-24-20(18)22/h13-16H,5-12H2,1-4H3
InChIKeyTZZJHMZXFCVFPJ-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.28
Rot. Bonds

About 5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione

5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione (PubChem CID 54342539) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione.

Molecular Properties

Compound Name5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione
PubChem CID54342539
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione
SMILESCC1CCC(C)COC(=O)C2=C(CC(C)CCC(C)C2)C(=O)OC1
InChIInChI=1S/C20H32O4/c1-13-5-6-14(2)10-18-17(9-13)19(21)23-11-15(3)7-8-16(4)12-24-20(18)22/h13-16H,5-12H2,1-4H3
InChIKeyTZZJHMZXFCVFPJ-UHFFFAOYSA-N
XLogP4.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione?
The IUPAC name of 5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione (CID 54342539) is 5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione.
What is the SMILES notation for 5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione?
The canonical SMILES for 5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione is CC1CCC(C)COC(=O)C2=C(CC(C)CCC(C)C2)C(=O)OC1.
What is the InChIKey of 5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione?
The InChIKey is TZZJHMZXFCVFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-13-5-6-14(2)10-18-17(9-13)19(21)23-11-15(3)7-8-16(4)12-24-20(18)22/h13-16H,5-12H2,1-4H3.
What are the key properties of 5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione?
5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione has a molecular weight of 336.47 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,14,17-tetramethyl-3,10-dioxabicyclo[10.6.0]octadec-1(12)-ene-2,11-dione is sourced from PubChem (CID 54342539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).