(6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate

C22H28O5 — CID 91461242

IUPAC(6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate
SMILESCCCC1=CC(=O)OC2C1=CC(C)(C)C1=C2C=C(OC(=O)C(C)(C)C)CO1
InChIInChI=1S/C22H28O5/c1-7-8-13-9-17(23)27-18-15-10-14(26-20(24)21(2,3)4)12-25-19(15)22(5,6)11-16(13)18/h9-11,18H,7-8,12H2,1-6H3
InChIKeyBWBDVIIRMALGLM-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.36
Rot. Bonds3

About (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate

(6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate (PubChem CID 91461242) has the molecular formula C22H28O5 and a molecular weight of 372.46 g/mol. Its IUPAC name is (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate
PubChem CID91461242
Molecular FormulaC22H28O5
Molecular Weight372.46 g/mol
Exact Mass372.19
IUPAC Name(6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate
SMILESCCCC1=CC(=O)OC2C1=CC(C)(C)C1=C2C=C(OC(=O)C(C)(C)C)CO1
InChIInChI=1S/C22H28O5/c1-7-8-13-9-17(23)27-18-15-10-14(26-20(24)21(2,3)4)12-25-19(15)22(5,6)11-16(13)18/h9-11,18H,7-8,12H2,1-6H3
InChIKeyBWBDVIIRMALGLM-UHFFFAOYSA-N
XLogP4.36
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate with MolForge

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Related Compounds

Phomopsinone A
CID 101578423
[(4aS,5R,6S)-5-methoxy-3,4a-dimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] acetate
CID 15896036
7-methyl-2-octyl-2H-pyrano[4,3-b]pyran-5-one
CID 44431107
[(4aR,6S)-3,4a-dimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] acetate
CID 15896035
4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
CID 163064927
3-Methyl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-1-one
CID 10656436
Ethyl 2-tert-butyl-4-(cyclohexen-1-yl)-5-methyl-6-oxopyran-3-carboxylate
CID 11370572
methyl 2-methyl-6,7,8,8a-tetrahydro-5H-chromene-3-carboxylate
CID 56641006
(6,6-Dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) propanoate
CID 91367053
8,8-Dimethyl-2-oxo-2,8,9,10-tetrahydropyrano(2,3-f)chromene-9,10-diyl bis((Z)-2-methyl-2-butenoate)
CID 5367773
4,4-Dimethyl-6-[(3-methyl-2-butenoyl)oxy]-8-oxo-6,8-dihydro-4H,5H-pyrano[2,3-f]chromen-5-yl (2E)-2-methyl-2-butenoate
CID 5367774
[(4aR,5R,6R,7S)-3,4a,5-trimethyl-2-oxo-6-propanoyloxy-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-7-yl] propanoate
CID 11740124

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate?
The IUPAC name of (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate (CID 91461242) is (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate is CCCC1=CC(=O)OC2C1=CC(C)(C)C1=C2C=C(OC(=O)C(C)(C)C)CO1.
What is the InChIKey of (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate?
The InChIKey is BWBDVIIRMALGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O5/c1-7-8-13-9-17(23)27-18-15-10-14(26-20(24)21(2,3)4)12-25-19(15)22(5,6)11-16(13)18/h9-11,18H,7-8,12H2,1-6H3.
What are the key properties of (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate?
(6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate has a molecular weight of 372.46 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 91461242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).