2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate

C24H27BrO5 — CID 159835092

IUPAC2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate
SMILESCC(C)(Br)C(=O)OCCOCCCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27BrO5/c1-24(2,25)23(27)29-15-14-28-13-7-12-22(26)30-16-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,21H,7,12-16H2,1-2H3
InChIKeyRERCXUWKLRTCIZ-UHFFFAOYSA-N
MW475.38 g/mol
LogP4.86
Rot. Bonds10

About 2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate

2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate (PubChem CID 159835092) has the molecular formula C24H27BrO5 and a molecular weight of 475.38 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Name2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate
PubChem CID159835092
Molecular FormulaC24H27BrO5
Molecular Weight475.38 g/mol
Exact Mass474.10
IUPAC Name2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate
SMILESCC(C)(Br)C(=O)OCCOCCCC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27BrO5/c1-24(2,25)23(27)29-15-14-28-13-7-12-22(26)30-16-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,21H,7,12-16H2,1-2H3
InChIKeyRERCXUWKLRTCIZ-UHFFFAOYSA-N
XLogP4.86
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate
CID 58238692
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
bis(9H-fluoren-9-ylmethyl) 4,4-dimethyldecanedioate
CID 71142808
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
7-O-amino 1-O-(9H-fluoren-9-ylmethyl) heptanedioate
CID 175239648
22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid
CID 149410071
9H-fluoren-9-ylmethyl 7-methyloctanoate
CID 167509149
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
9H-fluoren-9-ylmethyl 4,4-dimethyl-3-oxopentanoate
CID 59055681
tert-butyl (4S)-4-[3-[2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethoxy]propanoylamino]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate
CID 167610436
4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid
CID 160737681
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate?
The IUPAC name of 2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate (CID 159835092) is 2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate.
What is the SMILES notation for 2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate?
The canonical SMILES for 2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate is CC(C)(Br)C(=O)OCCOCCCC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate?
The InChIKey is RERCXUWKLRTCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrO5/c1-24(2,25)23(27)29-15-14-28-13-7-12-22(26)30-16-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,21H,7,12-16H2,1-2H3.
What are the key properties of 2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate?
2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate has a molecular weight of 475.38 g/mol, XLogP of 4.86, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 159835092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).