dipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate

C15H24O6 — CID 139757144

IUPACdipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate
SMILESCC(C)OC(=O)C1OC([C@@H]2C[C@H]2C)OC1C(=O)OC(C)C
InChIInChI=1S/C15H24O6/c1-7(2)18-13(16)11-12(14(17)19-8(3)4)21-15(20-11)10-6-9(10)5/h7-12,15H,6H2,1-5H3/t9-,10-,11?,12?,15?/m1/s1
InChIKeySDPJWZMYXUGXHF-HYYRIOQYSA-N
MW300.35 g/mol
LogP1.66
Rot. Bonds5

About dipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate

dipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 139757144) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is dipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate
PubChem CID139757144
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Namedipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate
SMILESCC(C)OC(=O)C1OC([C@@H]2C[C@H]2C)OC1C(=O)OC(C)C
InChIInChI=1S/C15H24O6/c1-7(2)18-13(16)11-12(14(17)19-8(3)4)21-15(20-11)10-6-9(10)5/h7-12,15H,6H2,1-5H3/t9-,10-,11?,12?,15?/m1/s1
InChIKeySDPJWZMYXUGXHF-HYYRIOQYSA-N
XLogP1.66
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl (1R,5S)-6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 142358356
propan-2-yl 3-[(E)-prop-1-enyl]oxirane-2-carboxylate
CID 21236894
propan-2-yl oxirane-2-carboxylate
CID 87397503
propan-2-yl (2R)-oxirane-2-carboxylate
CID 150807258
propan-2-yl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 15930981
propan-2-yl cyclopropanecarboxylate
CID 550170
propan-2-yl 4,6-dimethyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 59735559
dipropan-2-yl (4R,5R)-2-[(2R)-2,6-dimethylheptyl]-1,3-dioxolane-4,5-dicarboxylate
CID 14420016
dipropan-2-yl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-dicarboxylate
CID 142713572
dipropan-2-yl 2,3-dihydro-1,4-benzodioxine-2,3-dicarboxylate
CID 141457088
cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate
CID 14849276
propan-2-yl (2S,3R)-3-[(E)-1-phenylprop-1-en-2-yl]oxirane-2-carboxylate
CID 102157745

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate (CID 139757144) is dipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate is CC(C)OC(=O)C1OC([C@@H]2C[C@H]2C)OC1C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is SDPJWZMYXUGXHF-HYYRIOQYSA-N. The full InChI is InChI=1S/C15H24O6/c1-7(2)18-13(16)11-12(14(17)19-8(3)4)21-15(20-11)10-6-9(10)5/h7-12,15H,6H2,1-5H3/t9-,10-,11?,12?,15?/m1/s1.
What are the key properties of dipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate?
dipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 300.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-[(1R,2R)-2-methylcyclopropyl]-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 139757144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).