bis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate

C20H38O10 — CID 87997473

IUPACbis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate
SMILESCC(C)OC(COC(=O)C(O)C(O)C(=O)OCC(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C20H38O10/c1-11(2)27-15(28-12(3)4)9-25-19(23)17(21)18(22)20(24)26-10-16(29-13(5)6)30-14(7)8/h11-18,21-22H,9-10H2,1-8H3
InChIKeyFUYKRMQTUHJFBA-UHFFFAOYSA-N
MW438.51 g/mol
LogP1.15
Rot. Bonds15

About bis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate

bis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate (PubChem CID 87997473) has the molecular formula C20H38O10 and a molecular weight of 438.51 g/mol. Its IUPAC name is bis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate
PubChem CID87997473
Molecular FormulaC20H38O10
Molecular Weight438.51 g/mol
Exact Mass438.25
IUPAC Namebis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate
SMILESCC(C)OC(COC(=O)C(O)C(O)C(=O)OCC(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C20H38O10/c1-11(2)27-15(28-12(3)4)9-25-19(23)17(21)18(22)20(24)26-10-16(29-13(5)6)30-14(7)8/h11-18,21-22H,9-10H2,1-8H3
InChIKeyFUYKRMQTUHJFBA-UHFFFAOYSA-N
XLogP1.15
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethoxyethyl 2-hydroxypropanoate
CID 151767875
bis(2-hydroxypentyl) 2,3-dihydroxybutanedioate
CID 123287429
3,3-di(propan-2-yloxy)propanoic acid
CID 87167020
ethyl (2R,3R)-3-azido-2-hydroxybutanoate
CID 10866810
2,2-dimethoxyethyl 2-methylpropanoate
CID 86008683
4-[2-(3-carboxy-2,3-dihydroxypropanoyl)oxybutoxy]-2,3-dihydroxy-4-oxobutanoic acid
CID 91296645
(2R,3R)-2,3-dihydroxy-4-(3-methylbutoxy)-4-oxobutanoic acid
CID 141434844
4-hydroxy-1,1-di(propan-2-yloxy)hexan-3-one
CID 175753891
bis(2,6-dimethylhept-5-enyl) 2,3-dihydroxybutanedioate
CID 134992148
[2-(1-hydroxybutan-2-yloxy)-2-propan-2-yloxyethyl] 5-oxohexanoate
CID 126663469
2,3-dihydroxy-4-(2-hydroxyheptoxy)-4-oxobutanoic acid
CID 91384466
carbonic acid;2-propan-2-yloxypropane
CID 158018053

Frequently Asked Questions

What is the IUPAC name of bis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate?
The IUPAC name of bis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate (CID 87997473) is bis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate.
What is the SMILES notation for bis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate?
The canonical SMILES for bis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate is CC(C)OC(COC(=O)C(O)C(O)C(=O)OCC(OC(C)C)OC(C)C)OC(C)C.
What is the InChIKey of bis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate?
The InChIKey is FUYKRMQTUHJFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O10/c1-11(2)27-15(28-12(3)4)9-25-19(23)17(21)18(22)20(24)26-10-16(29-13(5)6)30-14(7)8/h11-18,21-22H,9-10H2,1-8H3.
What are the key properties of bis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate?
bis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate has a molecular weight of 438.51 g/mol, XLogP of 1.15, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,2-di(propan-2-yloxy)ethyl] 2,3-dihydroxybutanedioate is sourced from PubChem (CID 87997473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).