bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate

C28H34O6 — CID 10600292

IUPACbis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate
SMILESCCC/C=C\COC(=O)C(O)(c1ccccc1)C(O)(C(=O)OC/C=C\CCC)c1ccccc1
InChIInChI=1S/C28H34O6/c1-3-5-7-15-21-33-25(29)27(31,23-17-11-9-12-18-23)28(32,24-19-13-10-14-20-24)26(30)34-22-16-8-6-4-2/h7-20,31-32H,3-6,21-22H2,1-2H3/b15-7-,16-8-
InChIKeyGHBQCBBLJUDZDG-DUGOVBPYSA-N
MW466.57 g/mol
LogP4.56
Rot. Bonds13

About bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate

bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate (PubChem CID 10600292) has the molecular formula C28H34O6 and a molecular weight of 466.57 g/mol. Its IUPAC name is bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate.

Molecular Properties

Compound Namebis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate
PubChem CID10600292
Molecular FormulaC28H34O6
Molecular Weight466.57 g/mol
Exact Mass466.24
IUPAC Namebis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate
SMILESCCC/C=C\COC(=O)C(O)(c1ccccc1)C(O)(C(=O)OC/C=C\CCC)c1ccccc1
InChIInChI=1S/C28H34O6/c1-3-5-7-15-21-33-25(29)27(31,23-17-11-9-12-18-23)28(32,24-19-13-10-14-20-24)26(30)34-22-16-8-6-4-2/h7-20,31-32H,3-6,21-22H2,1-2H3/b15-7-,16-8-
InChIKeyGHBQCBBLJUDZDG-DUGOVBPYSA-N
XLogP4.56
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-hex-2-enyl] 2-oxo-2-phenylacetate
CID 15312626
[(E)-hex-2-enyl] 2-hydroxybenzoate
CID 6437473
octa-2,4-dienyl 2-phenylacetate
CID 175317654
2-[(E)-hex-2-enoxy]benzoic acid
CID 15321685
bis[(Z)-hex-2-enyl] (E)-but-2-enedioate
CID 24805711
bis[(Z)-hex-2-enyl] butanedioate
CID 91701123
[(Z)-hex-2-enyl] 4-fluorobenzoate
CID 30979309
2-hex-2-enoxyphenol
CID 57375343
bis[(E)-hex-2-enyl] pentanedioate
CID 91707138
4-(2-phenylacetyl)oxybut-2-enyl 2-phenylacetate
CID 139775168
diethyl 2-phenyl-2-prop-1-enylpropanedioate
CID 71442404
benzyl hex-2-enoate
CID 3828590

Frequently Asked Questions

What is the IUPAC name of bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate?
The IUPAC name of bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate (CID 10600292) is bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate.
What is the SMILES notation for bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate?
The canonical SMILES for bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate is CCC/C=C\COC(=O)C(O)(c1ccccc1)C(O)(C(=O)OC/C=C\CCC)c1ccccc1.
What is the InChIKey of bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate?
The InChIKey is GHBQCBBLJUDZDG-DUGOVBPYSA-N. The full InChI is InChI=1S/C28H34O6/c1-3-5-7-15-21-33-25(29)27(31,23-17-11-9-12-18-23)28(32,24-19-13-10-14-20-24)26(30)34-22-16-8-6-4-2/h7-20,31-32H,3-6,21-22H2,1-2H3/b15-7-,16-8-.
What are the key properties of bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate?
bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate has a molecular weight of 466.57 g/mol, XLogP of 4.56, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(Z)-hex-2-enyl] 2,3-dihydroxy-2,3-diphenylbutanedioate is sourced from PubChem (CID 10600292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).