9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate

C23H26O6 — CID 58238692

IUPAC9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate
SMILESCOC(=O)COCCOCCCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26O6/c1-26-23(25)16-28-14-13-27-12-6-11-22(24)29-15-21-19-9-4-2-7-17(19)18-8-3-5-10-20(18)21/h2-5,7-10,21H,6,11-16H2,1H3
InChIKeyQRCYRTHSUSQHEZ-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.33
Rot. Bonds11

About 9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate

9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate (PubChem CID 58238692) has the molecular formula C23H26O6 and a molecular weight of 398.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate
PubChem CID58238692
Molecular FormulaC23H26O6
Molecular Weight398.46 g/mol
Exact Mass398.17
IUPAC Name9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate
SMILESCOC(=O)COCCOCCCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26O6/c1-26-23(25)16-28-14-13-27-12-6-11-22(24)29-15-21-19-9-4-2-7-17(19)18-8-3-5-10-20(18)21/h2-5,7-10,21H,6,11-16H2,1H3
InChIKeyQRCYRTHSUSQHEZ-UHFFFAOYSA-N
XLogP3.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate
CID 159835092
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
9H-fluoren-9-ylmethyl 4-[2-[2-(7-benzyl-2,5,8-trioxodecoxy)ethoxy]ethoxy]butanoate
CID 158051844
methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 177268739
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate
CID 146329215
7-O-amino 1-O-(9H-fluoren-9-ylmethyl) heptanedioate
CID 175239648
9H-fluoren-9-ylmethyl 7-methyloctanoate
CID 167509149
9H-fluoren-9-ylmethyl N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 171617165
22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid
CID 149410071
bis(9H-fluoren-9-ylmethyl) 4,4-dimethyldecanedioate
CID 71142808
9-[3-(2-methoxyethoxy)propoxymethyl]-9H-fluorene
CID 150685477

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate (CID 58238692) is 9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate is COC(=O)COCCOCCCC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate?
The InChIKey is QRCYRTHSUSQHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O6/c1-26-23(25)16-28-14-13-27-12-6-11-22(24)29-15-21-19-9-4-2-7-17(19)18-8-3-5-10-20(18)21/h2-5,7-10,21H,6,11-16H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate?
9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate has a molecular weight of 398.46 g/mol, XLogP of 3.33, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate is sourced from PubChem (CID 58238692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).