dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate

C16H20O6 — CID 141457088

IUPACdipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate
SMILESCC(C)OC(=O)C1Oc2ccccc2OC1C(=O)OC(C)C
InChIInChI=1S/C16H20O6/c1-9(2)19-15(17)13-14(16(18)20-10(3)4)22-12-8-6-5-7-11(12)21-13/h5-10,13-14H,1-4H3
InChIKeyKLMPDWHCSPSBRJ-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.10
Rot. Bonds4

About dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate

dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate (PubChem CID 141457088) has the molecular formula C16H20O6 and a molecular weight of 308.33 g/mol. Its IUPAC name is dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate
PubChem CID141457088
Molecular FormulaC16H20O6
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Namedipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate
SMILESCC(C)OC(=O)C1Oc2ccccc2OC1C(=O)OC(C)C
InChIInChI=1S/C16H20O6/c1-9(2)19-15(17)13-14(16(18)20-10(3)4)22-12-8-6-5-7-11(12)21-13/h5-10,13-14H,1-4H3
InChIKeyKLMPDWHCSPSBRJ-UHFFFAOYSA-N
XLogP2.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 2H-chromene-2-carboxylate
CID 101402460
bis(2,3,4-trimethylpentyl) 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate
CID 141457120
propan-2-yl (2S,3R)-3-[(E)-1-phenylprop-1-en-2-yl]oxirane-2-carboxylate
CID 102157745
propan-2-yl (2R,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 11107343
dipropan-2-yl (15R,16R)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
CID 1101086
methyl 2-(1,3-benzodioxol-2-yl)propanoate
CID 12637522
carboxy 1,3-benzodioxole-2-carboxylate
CID 91476680
2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 78428488
[(2S)-1-amino-1-oxopropan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7861815
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 46670784
[(2R)-1-methoxy-1-oxopropan-2-yl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 94774529
propan-2-yl N-phenyl-N-propan-2-ylcarbamate
CID 71384721

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate?
The IUPAC name of dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate (CID 141457088) is dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate?
The canonical SMILES for dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate is CC(C)OC(=O)C1Oc2ccccc2OC1C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate?
The InChIKey is KLMPDWHCSPSBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O6/c1-9(2)19-15(17)13-14(16(18)20-10(3)4)22-12-8-6-5-7-11(12)21-13/h5-10,13-14H,1-4H3.
What are the key properties of dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate?
dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate has a molecular weight of 308.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate is sourced from PubChem (CID 141457088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).