8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione

C22H32O6 — CID 78092420

IUPAC8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione
SMILESCCCC1C(O)=C2CCC3(C)CC(C)C(O3)C(O)C=C(C)C(=O)CC1OC2=O
InChIInChI=1S/C22H32O6/c1-5-6-14-18-10-16(23)12(2)9-17(24)20-13(3)11-22(4,28-20)8-7-15(19(14)25)21(26)27-18/h9,13-14,17-18,20,24-25H,5-8,10-11H2,1-4H3
InChIKeyAFAXFXGTXQUJRU-UHFFFAOYSA-N
MW392.49 g/mol
LogP3.38
Rot. Bonds2

About 8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione

8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione (PubChem CID 78092420) has the molecular formula C22H32O6 and a molecular weight of 392.49 g/mol. Its IUPAC name is 8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione.

Molecular Properties

Compound Name8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione
PubChem CID78092420
Molecular FormulaC22H32O6
Molecular Weight392.49 g/mol
Exact Mass392.22
IUPAC Name8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione
SMILESCCCC1C(O)=C2CCC3(C)CC(C)C(O3)C(O)C=C(C)C(=O)CC1OC2=O
InChIInChI=1S/C22H32O6/c1-5-6-14-18-10-16(23)12(2)9-17(24)20-13(3)11-22(4,28-20)8-7-15(19(14)25)21(26)27-18/h9,13-14,17-18,20,24-25H,5-8,10-11H2,1-4H3
InChIKeyAFAXFXGTXQUJRU-UHFFFAOYSA-N
XLogP3.38
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione with MolForge

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Related Compounds

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
(1R,4S,6S,7R,8R,13R,17R)-8-hydroxy-4,6,10-trimethyl-11-methylidene-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadec-9-ene-15,16-dione
CID 163188990
(4S,5R)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 14379179
(4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 91747382
(3E)-12-hydroxy-3,5,6,7,11,13-hexamethyl-14-propyl-1-oxacyclotetradec-3-ene-2,10-dione
CID 21343770
(1S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-6-propyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 58883180
(3aR,4S,5E,9R,11aR)-4,9-dihydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
CID 14191257
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,12,16-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-10-propyl-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
CID 10143405
(2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one
CID 130736036
(4aR,8R,8aS)-3,8-dimethyl-5-propan-2-ylidene-4a,7,8,8a-tetrahydro-1H-naphthalene-2,6-dione
CID 91885218
(5E)-4-hydroxy-6-methyl-3,10-dimethylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2,9-dione
CID 5367515
(4R)-4-butyl-2,3,4-trimethylcyclohexan-1-one
CID 171562770

Frequently Asked Questions

What is the IUPAC name of 8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione?
The IUPAC name of 8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione (CID 78092420) is 8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione.
What is the SMILES notation for 8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione?
The canonical SMILES for 8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione is CCCC1C(O)=C2CCC3(C)CC(C)C(O3)C(O)C=C(C)C(=O)CC1OC2=O.
What is the InChIKey of 8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione?
The InChIKey is AFAXFXGTXQUJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O6/c1-5-6-14-18-10-16(23)12(2)9-17(24)20-13(3)11-22(4,28-20)8-7-15(19(14)25)21(26)27-18/h9,13-14,17-18,20,24-25H,5-8,10-11H2,1-4H3.
What are the key properties of 8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione?
8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione has a molecular weight of 392.49 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,16-dihydroxy-4,6,10-trimethyl-17-propyl-14,18-dioxatricyclo[11.2.2.14,7]octadeca-1(16),9-diene-11,15-dione is sourced from PubChem (CID 78092420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).