dipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate

C14H24O5 — CID 15712423

IUPACdipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate
SMILESC=C(C)CC(C(=O)OC(C)C)[C@H](O)C(=O)OC(C)C
InChIInChI=1S/C14H24O5/c1-8(2)7-11(13(16)18-9(3)4)12(15)14(17)19-10(5)6/h9-12,15H,1,7H2,2-6H3/t11?,12-/m0/s1
InChIKeyKTNQSSQBLDPYAY-KIYNQFGBSA-N
MW272.34 g/mol
LogP1.83
Rot. Bonds7

About dipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate

dipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate (PubChem CID 15712423) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is dipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate.

Molecular Properties

Compound Namedipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate
PubChem CID15712423
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namedipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate
SMILESC=C(C)CC(C(=O)OC(C)C)[C@H](O)C(=O)OC(C)C
InChIInChI=1S/C14H24O5/c1-8(2)7-11(13(16)18-9(3)4)12(15)14(17)19-10(5)6/h9-12,15H,1,7H2,2-6H3/t11?,12-/m0/s1
InChIKeyKTNQSSQBLDPYAY-KIYNQFGBSA-N
XLogP1.83
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate?
The IUPAC name of dipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate (CID 15712423) is dipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate.
What is the SMILES notation for dipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate?
The canonical SMILES for dipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate is C=C(C)CC(C(=O)OC(C)C)[C@H](O)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate?
The InChIKey is KTNQSSQBLDPYAY-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H24O5/c1-8(2)7-11(13(16)18-9(3)4)12(15)14(17)19-10(5)6/h9-12,15H,1,7H2,2-6H3/t11?,12-/m0/s1.
What are the key properties of dipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate?
dipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate has a molecular weight of 272.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (2S,3R)-2-hydroxy-3-(2-methylprop-2-enyl)butanedioate is sourced from PubChem (CID 15712423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).