4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid

C23H26O4 — CID 135041778

IUPAC4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid
SMILESC=CCCC1(CCCC(=O)O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H26O4/c1-2-3-16-23(17-10-15-20(24)25)26-21(18-11-6-4-7-12-18)22(27-23)19-13-8-5-9-14-19/h2,4-9,11-14,21-22H,1,3,10,15-17H2,(H,24,25)/t21-,22-/m1/s1
InChIKeySJCDPBQQZQLEQR-FGZHOGPDSA-N
MW366.46 g/mol
LogP5.43
Rot. Bonds9

About 4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid

4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid (PubChem CID 135041778) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid
PubChem CID135041778
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid
SMILESC=CCCC1(CCCC(=O)O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H26O4/c1-2-3-16-23(17-10-15-20(24)25)26-21(18-11-6-4-7-12-18)22(27-23)19-13-8-5-9-14-19/h2,4-9,11-14,21-22H,1,3,10,15-17H2,(H,24,25)/t21-,22-/m1/s1
InChIKeySJCDPBQQZQLEQR-FGZHOGPDSA-N
XLogP5.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid with MolForge

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Related Compounds

benzylbenzene;hex-5-enoic acid
CID 70412455
1-(2-phenylcyclopropyl)hex-5-en-1-one
CID 114974761
(2R,5S,6R)-2-but-3-enyl-4,5-dimethyl-6-phenyl-2-prop-2-enylmorpholin-3-one
CID 23649698
4-but-3-enyl-5-ethyl-2,2-diphenyl-1,3-oxazolidine-4-carboxylic acid
CID 141320363
octadec-17-enoic acid
CID 5312444
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
nonadec-18-enoic acid
CID 543857
tritriacont-32-enoic acid
CID 54063641
methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate
CID 10711237
4-[(2S)-1-oxo-2-prop-2-enyl-3,4-dihydronaphthalen-2-yl]butanoic acid
CID 155321803
(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane
CID 11141751
4,4-dideuterionon-8-enoic acid
CID 10820841

Frequently Asked Questions

What is the IUPAC name of 4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid?
The IUPAC name of 4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid (CID 135041778) is 4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid.
What is the SMILES notation for 4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid?
The canonical SMILES for 4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid is C=CCCC1(CCCC(=O)O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of 4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid?
The InChIKey is SJCDPBQQZQLEQR-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H26O4/c1-2-3-16-23(17-10-15-20(24)25)26-21(18-11-6-4-7-12-18)22(27-23)19-13-8-5-9-14-19/h2,4-9,11-14,21-22H,1,3,10,15-17H2,(H,24,25)/t21-,22-/m1/s1.
What are the key properties of 4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid?
4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid has a molecular weight of 366.46 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R,5R)-2-but-3-enyl-4,5-diphenyl-1,3-dioxolan-2-yl]butanoic acid is sourced from PubChem (CID 135041778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).