17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione

C21H32O6 — CID 163062639

IUPAC17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione
SMILESCCC1C(O)=C2CCC3(C)CC(C)C(O3)C(O)CC(C)C(=O)CC1OC2=O
InChIInChI=1S/C21H32O6/c1-5-13-17-9-15(22)11(2)8-16(23)19-12(3)10-21(4,27-19)7-6-14(18(13)24)20(25)26-17/h11-13,16-17,19,23-24H,5-10H2,1-4H3
InChIKeyWHJYUMSXIZMUHM-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.07
Rot. Bonds1

About 17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione

17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione (PubChem CID 163062639) has the molecular formula C21H32O6 and a molecular weight of 380.48 g/mol. Its IUPAC name is 17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione.

Molecular Properties

Compound Name17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione
PubChem CID163062639
Molecular FormulaC21H32O6
Molecular Weight380.48 g/mol
Exact Mass380.22
IUPAC Name17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione
SMILESCCC1C(O)=C2CCC3(C)CC(C)C(O3)C(O)CC(C)C(=O)CC1OC2=O
InChIInChI=1S/C21H32O6/c1-5-13-17-9-15(22)11(2)8-16(23)19-12(3)10-21(4,27-19)7-6-14(18(13)24)20(25)26-17/h11-13,16-17,19,23-24H,5-10H2,1-4H3
InChIKeyWHJYUMSXIZMUHM-UHFFFAOYSA-N
XLogP3.07
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione?
The IUPAC name of 17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione (CID 163062639) is 17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione.
What is the SMILES notation for 17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione?
The canonical SMILES for 17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione is CCC1C(O)=C2CCC3(C)CC(C)C(O3)C(O)CC(C)C(=O)CC1OC2=O.
What is the InChIKey of 17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione?
The InChIKey is WHJYUMSXIZMUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O6/c1-5-13-17-9-15(22)11(2)8-16(23)19-12(3)10-21(4,27-19)7-6-14(18(13)24)20(25)26-17/h11-13,16-17,19,23-24H,5-10H2,1-4H3.
What are the key properties of 17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione?
17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione has a molecular weight of 380.48 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 17-ethyl-8,16-dihydroxy-4,6,10-trimethyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-1(16)-ene-11,15-dione is sourced from PubChem (CID 163062639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).