ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid

C24H26O4 — CID 123893552

IUPACethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid
SMILESC=C[C@@H]1C[C@]1(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC
InChIInChI=1S/C22H20O4.C2H6/c1-2-14-11-22(14,21(24)25)12-20(23)26-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19;1-2/h2-10,14,19H,1,11-13H2,(H,24,25);1-2H3/t14-,22-;/m1./s1
InChIKeyHJGSMBCSZSCGAL-LDRWRNAJSA-N
MW378.47 g/mol
LogP5.04
Rot. Bonds6

About ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid

ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid (PubChem CID 123893552) has the molecular formula C24H26O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nameethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid
PubChem CID123893552
Molecular FormulaC24H26O4
Molecular Weight378.47 g/mol
Exact Mass378.18
IUPAC Nameethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid
SMILESC=C[C@@H]1C[C@]1(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC
InChIInChI=1S/C22H20O4.C2H6/c1-2-14-11-22(14,21(24)25)12-20(23)26-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19;1-2/h2-10,14,19H,1,11-13H2,(H,24,25);1-2H3/t14-,22-;/m1./s1
InChIKeyHJGSMBCSZSCGAL-LDRWRNAJSA-N
XLogP5.04
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2R)-2-ethenyl-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropane-1-carboxylic acid
CID 162342071
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 161453586
prop-2-enyl 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetate
CID 164550281
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
cis-(1R,2S)-1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 86307384
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.2.0]heptane-3-carboxylic acid
CID 178200031
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(methoxymethyl)azetidine-3-carboxylic acid
CID 139026343
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylcyclobutane-1-carboxylic acid
CID 103563616

Frequently Asked Questions

What is the IUPAC name of ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid (CID 123893552) is ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid is C=C[C@@H]1C[C@]1(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CC.
What is the InChIKey of ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid?
The InChIKey is HJGSMBCSZSCGAL-LDRWRNAJSA-N. The full InChI is InChI=1S/C22H20O4.C2H6/c1-2-14-11-22(14,21(24)25)12-20(23)26-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19;1-2/h2-10,14,19H,1,11-13H2,(H,24,25);1-2H3/t14-,22-;/m1./s1.
What are the key properties of ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid?
ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid has a molecular weight of 378.47 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;trans-(1R,2S)-2-ethenyl-1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 123893552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).