dipropan-2-yl (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate

C14H24O5 — CID 18641724

IUPACdipropan-2-yl (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate
SMILESC=C(C)C[C@@](O)(CC(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C14H24O5/c1-9(2)7-14(17,13(16)19-11(5)6)8-12(15)18-10(3)4/h10-11,17H,1,7-8H2,2-6H3/t14-/m1/s1
InChIKeyQTSXIHJMERBQHO-CQSZACIVSA-N
MW272.34 g/mol
LogP1.98
Rot. Bonds7

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

dipropan-2-yl (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate (PubChem CID 18641724) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is dipropan-2-yl (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate.

Molecular Properties

Compound Namedipropan-2-yl (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate
PubChem CID18641724
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namedipropan-2-yl (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate
SMILESC=C(C)C[C@@](O)(CC(=O)OC(C)C)C(=O)OC(C)C
InChIInChI=1S/C14H24O5/c1-9(2)7-14(17,13(16)19-11(5)6)8-12(15)18-10(3)4/h10-11,17H,1,7-8H2,2-6H3/t14-/m1/s1
InChIKeyQTSXIHJMERBQHO-CQSZACIVSA-N
XLogP1.98
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 ≤ 51.98
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 (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate?
The IUPAC name of dipropan-2-yl (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate (CID 18641724) is dipropan-2-yl (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate.
What is the SMILES notation for dipropan-2-yl (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate?
The canonical SMILES for dipropan-2-yl (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate is C=C(C)C[C@@](O)(CC(=O)OC(C)C)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate?
The InChIKey is QTSXIHJMERBQHO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24O5/c1-9(2)7-14(17,13(16)19-11(5)6)8-12(15)18-10(3)4/h10-11,17H,1,7-8H2,2-6H3/t14-/m1/s1.
What are the key properties of dipropan-2-yl (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate?
dipropan-2-yl (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate has a molecular weight of 272.34 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (2R)-2-hydroxy-2-(2-methylprop-2-enyl)butanedioate is sourced from PubChem (CID 18641724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).