dipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate

C10H16Cl2O5 — CID 139631018

IUPACdipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate
SMILESCC(C)OC(=O)C(O)C(Cl)(Cl)C(=O)OC(C)C
InChIInChI=1S/C10H16Cl2O5/c1-5(2)16-8(14)7(13)10(11,12)9(15)17-6(3)4/h5-7,13H,1-4H3
InChIKeyPPCKCJOESNUZGB-UHFFFAOYSA-N
MW287.14 g/mol
LogP1.42
Rot. Bonds5

About dipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate

dipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate (PubChem CID 139631018) has the molecular formula C10H16Cl2O5 and a molecular weight of 287.14 g/mol. Its IUPAC name is dipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate
PubChem CID139631018
Molecular FormulaC10H16Cl2O5
Molecular Weight287.14 g/mol
Exact Mass286.04
IUPAC Namedipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate
SMILESCC(C)OC(=O)C(O)C(Cl)(Cl)C(=O)OC(C)C
InChIInChI=1S/C10H16Cl2O5/c1-5(2)16-8(14)7(13)10(11,12)9(15)17-6(3)4/h5-7,13H,1-4H3
InChIKeyPPCKCJOESNUZGB-UHFFFAOYSA-N
XLogP1.42
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2,2-dichloro-3-methylbutanoate
CID 57232967
propan-2-yl 2-chloro-2,2-difluoroacetate
CID 14008863
propan-2-yl 2-chloro-2-hydroxyacetate
CID 174315880
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
propan-2-yl 2,2,2-tribromoacetate
CID 6432844
propan-2-yl (2S)-2-hydroxy-3-methylbutanoate
CID 87171690
propan-2-yl 2-amino-2-sulfanylpropanoate
CID 123998994
propan-2-yl 2-amino-2,3-dimethylbutanoate
CID 18780772
propan-2-yl 2-aminopropanoate
CID 11804791
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl 3,4-dimethyl-2,2,3-tri(propan-2-yl)pentanoate
CID 173451742

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate?
The IUPAC name of dipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate (CID 139631018) is dipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate.
What is the SMILES notation for dipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate?
The canonical SMILES for dipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate is CC(C)OC(=O)C(O)C(Cl)(Cl)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate?
The InChIKey is PPCKCJOESNUZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2O5/c1-5(2)16-8(14)7(13)10(11,12)9(15)17-6(3)4/h5-7,13H,1-4H3.
What are the key properties of dipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate?
dipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate has a molecular weight of 287.14 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2,2-dichloro-3-hydroxybutanedioate is sourced from PubChem (CID 139631018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).