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

C20H24O5 — CID 91367053

IUPAC(6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) propanoate
SMILESCCCC1=CC(=O)OC2C1=CC(C)(C)C1=C2C=C(OC(=O)CC)CO1
InChIInChI=1S/C20H24O5/c1-5-7-12-8-17(22)25-18-14-9-13(24-16(21)6-2)11-23-19(14)20(3,4)10-15(12)18/h8-10,18H,5-7,11H2,1-4H3
InChIKeyXTWNWCSLPPHRPI-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.73
Rot. Bonds4

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

(6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) propanoate (PubChem CID 91367053) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) propanoate.

Molecular Properties

Compound Name(6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) propanoate
PubChem CID91367053
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name(6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) propanoate
SMILESCCCC1=CC(=O)OC2C1=CC(C)(C)C1=C2C=C(OC(=O)CC)CO1
InChIInChI=1S/C20H24O5/c1-5-7-12-8-17(22)25-18-14-9-13(24-16(21)6-2)11-23-19(14)20(3,4)10-15(12)18/h8-10,18H,5-7,11H2,1-4H3
InChIKeyXTWNWCSLPPHRPI-UHFFFAOYSA-N
XLogP3.73
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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) 2,2-dimethylpropanoate
CID 91461242
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) propanoate?
The IUPAC name of (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) propanoate (CID 91367053) is (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) propanoate.
What is the SMILES notation for (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) propanoate?
The canonical SMILES for (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) propanoate is CCCC1=CC(=O)OC2C1=CC(C)(C)C1=C2C=C(OC(=O)CC)CO1.
What is the InChIKey of (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) propanoate?
The InChIKey is XTWNWCSLPPHRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-5-7-12-8-17(22)25-18-14-9-13(24-16(21)6-2)11-23-19(14)20(3,4)10-15(12)18/h8-10,18H,5-7,11H2,1-4H3.
What are the key properties of (6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) propanoate?
(6,6-dimethyl-2-oxo-4-propyl-8,10b-dihydropyrano[2,3-f]chromen-9-yl) propanoate has a molecular weight of 344.41 g/mol, XLogP of 3.73, 4 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) propanoate is sourced from PubChem (CID 91367053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).