6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate

C71H82N2O14Si — CID 165070861

IUPAC6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate
SMILESCN(CCC(=O)O)C(=O)CCCCC(=O)OCC1c2ccccc2-c2ccccc21.CN(CCC(=O)O[Si](C)(C)C)C(=O)CCCCC(=O)OCC1c2ccccc2-c2ccccc21.O=C(O)CCCCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H35NO5Si.C24H27NO5.C20H20O4/c1-28(18-17-27(31)33-34(2,3)4)25(29)15-9-10-16-26(30)32-19-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24;1-25(15-14-23(27)28)22(26)12-6-7-13-24(29)30-16-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21;21-19(22)11-5-6-12-20(23)24-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h5-8,11-14,24H,9-10,15-19H2,1-4H3;2-5,8-11,21H,6-7,12-16H2,1H3,(H,27,28);1-4,7-10,18H,5-6,11-13H2,(H,21,22)
InChIKeySSOGNLSGWZEKGG-UHFFFAOYSA-N
MW1215.52 g/mol
LogP12.95
Rot. Bonds28

About 6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate

6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate (PubChem CID 165070861) has the molecular formula C71H82N2O14Si and a molecular weight of 1215.52 g/mol. Its IUPAC name is 6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate.

Molecular Properties

Compound Name6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate
PubChem CID165070861
Molecular FormulaC71H82N2O14Si
Molecular Weight1215.52 g/mol
Exact Mass1214.55
IUPAC Name6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate
SMILESCN(CCC(=O)O)C(=O)CCCCC(=O)OCC1c2ccccc2-c2ccccc21.CN(CCC(=O)O[Si](C)(C)C)C(=O)CCCCC(=O)OCC1c2ccccc2-c2ccccc21.O=C(O)CCCCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H35NO5Si.C24H27NO5.C20H20O4/c1-28(18-17-27(31)33-34(2,3)4)25(29)15-9-10-16-26(30)32-19-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24;1-25(15-14-23(27)28)22(26)12-6-7-13-24(29)30-16-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21;21-19(22)11-5-6-12-20(23)24-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h5-8,11-14,24H,9-10,15-19H2,1-4H3;2-5,8-11,21H,6-7,12-16H2,1H3,(H,27,28);1-4,7-10,18H,5-6,11-13H2,(H,21,22)
InChIKeySSOGNLSGWZEKGG-UHFFFAOYSA-N
XLogP12.95
TPSA220.42 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001215.52
LogP ≤ 512.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate with MolForge

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Related Compounds

22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid
CID 149410071
2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid
CID 59806874
7-O-amino 1-O-(9H-fluoren-9-ylmethyl) heptanedioate
CID 175239648
9H-fluoren-9-ylmethyl 7-methyloctanoate
CID 167509149
4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-methylamino]butanoic acid
CID 178198509
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(9H-fluoren-9-ylmethoxy)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 175828147
ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 157220460
(2S)-2-[[5-(9H-fluoren-9-ylmethoxy)-5-oxopentyl]amino]-3-sulfanylpropanoic acid
CID 154704337
5-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-methylamino]pentanoic acid
CID 178194052
3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid
CID 69412355
bis(9H-fluoren-9-ylmethyl) 4,4-dimethyldecanedioate
CID 71142808
3-[cyclopropyl-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]propanoic acid
CID 165479645

Frequently Asked Questions

What is the IUPAC name of 6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate?
The IUPAC name of 6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate (CID 165070861) is 6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate.
What is the SMILES notation for 6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate?
The canonical SMILES for 6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate is CN(CCC(=O)O)C(=O)CCCCC(=O)OCC1c2ccccc2-c2ccccc21.CN(CCC(=O)O[Si](C)(C)C)C(=O)CCCCC(=O)OCC1c2ccccc2-c2ccccc21.O=C(O)CCCCC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate?
The InChIKey is SSOGNLSGWZEKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO5Si.C24H27NO5.C20H20O4/c1-28(18-17-27(31)33-34(2,3)4)25(29)15-9-10-16-26(30)32-19-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24;1-25(15-14-23(27)28)22(26)12-6-7-13-24(29)30-16-21-19-10-4-2-8-17(19)18-9-3-5-11-20(18)21;21-19(22)11-5-6-12-20(23)24-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h5-8,11-14,24H,9-10,15-19H2,1-4H3;2-5,8-11,21H,6-7,12-16H2,1H3,(H,27,28);1-4,7-10,18H,5-6,11-13H2,(H,21,22).
What are the key properties of 6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate?
6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate has a molecular weight of 1215.52 g/mol, XLogP of 12.95, 28 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate is sourced from PubChem (CID 165070861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).