2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid

C31H38O5 — CID 162244816

IUPAC2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)CCCCCCCC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1
InChIInChI=1S/C31H38O5/c32-23(20-31(21-29(33)34)18-10-11-19-31)12-4-2-1-3-5-17-30(35)36-22-28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28/h6-9,13-16,28H,1-5,10-12,17-22H2,(H,33,34)
InChIKeyBBWMUVAFZQBNEY-UHFFFAOYSA-N
MW490.64 g/mol
LogP7.07
Rot. Bonds14

About 2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid

2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid (PubChem CID 162244816) has the molecular formula C31H38O5 and a molecular weight of 490.64 g/mol. Its IUPAC name is 2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid
PubChem CID162244816
Molecular FormulaC31H38O5
Molecular Weight490.64 g/mol
Exact Mass490.27
IUPAC Name2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)CCCCCCCC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1
InChIInChI=1S/C31H38O5/c32-23(20-31(21-29(33)34)18-10-11-19-31)12-4-2-1-3-5-17-30(35)36-22-28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28/h6-9,13-16,28H,1-5,10-12,17-22H2,(H,33,34)
InChIKeyBBWMUVAFZQBNEY-UHFFFAOYSA-N
XLogP7.07
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.64
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid
CID 149410071
7-O-amino 1-O-(9H-fluoren-9-ylmethyl) heptanedioate
CID 175239648
1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 161453586
9H-fluoren-9-ylmethyl 7-methyloctanoate
CID 167509149
(2S)-2-[[5-(9H-fluoren-9-ylmethoxy)-5-oxopentyl]amino]-3-sulfanylpropanoic acid
CID 154704337
2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid
CID 165478738
bis(9H-fluoren-9-ylmethyl) 4,4-dimethyldecanedioate
CID 71142808
CID 23573686
CID 23573686
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 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
CID 71433298
9H-fluoren-9-ylmethyl 4-[2-(2-methoxy-2-oxoethoxy)ethoxy]butanoate
CID 58238692

Frequently Asked Questions

What is the IUPAC name of 2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid (CID 162244816) is 2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)CCCCCCCC(=O)OCC2c3ccccc3-c3ccccc32)CCCC1.
What is the InChIKey of 2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid?
The InChIKey is BBWMUVAFZQBNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38O5/c32-23(20-31(21-29(33)34)18-10-11-19-31)12-4-2-1-3-5-17-30(35)36-22-28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28/h6-9,13-16,28H,1-5,10-12,17-22H2,(H,33,34).
What are the key properties of 2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid?
2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid has a molecular weight of 490.64 g/mol, XLogP of 7.07, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[10-(9H-fluoren-9-ylmethoxy)-2,10-dioxodecyl]cyclopentyl]acetic acid is sourced from PubChem (CID 162244816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).