fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid

C12H22FmO4 — CID 59060134

IUPACfermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid
SMILESCCC[C@H](C(=O)OC)C(CC(C)C)C(=O)O.[Fm]
InChIInChI=1S/C12H22O4.Fm/c1-5-6-9(12(15)16-4)10(11(13)14)7-8(2)3;/h8-10H,5-7H2,1-4H3,(H,13,14);/t9-,10?;/m0./s1
InChIKeyUWNUHEJBTBLVSY-KKFCBZOWSA-N
MW487.30 g/mol
LogP2.32
Rot. Bonds7

About fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid

fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid (PubChem CID 59060134) has the molecular formula C12H22FmO4 and a molecular weight of 487.30 g/mol. Its IUPAC name is fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid.

Molecular Properties

Compound Namefermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid
PubChem CID59060134
Molecular FormulaC12H22FmO4
Molecular Weight487.30 g/mol
Exact Mass487.25
IUPAC Namefermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid
SMILESCCC[C@H](C(=O)OC)C(CC(C)C)C(=O)O.[Fm]
InChIInChI=1S/C12H22O4.Fm/c1-5-6-9(12(15)16-4)10(11(13)14)7-8(2)3;/h8-10H,5-7H2,1-4H3,(H,13,14);/t9-,10?;/m0./s1
InChIKeyUWNUHEJBTBLVSY-KKFCBZOWSA-N
XLogP2.32
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

16-methoxycarbonyl-5,9,13,17-tetramethyloctadecane-3,7,11-tricarboxylic acid
CID 175111700
methyl 3-acetyl-2-propylhexanoate
CID 142729907
methyl (2R,3R)-3-hydroxy-2-(3-methylbutyl)hexanoate
CID 11138520
diethyl (2R,3R)-2,3-bis(2-methylpropyl)butanedioate
CID 100932305
methyl (2S,3R)-3-prop-1-en-2-yl-2-propylhexanoate
CID 10751049
2-methoxycarbonyl-4-methylheptanoic acid
CID 103973369
methyl 2,3-bis(2-methylpropyl)-4-oxooctanoate
CID 142730002
3-methyl-2-propylpentanoic acid
CID 54305821
(2R)-pentane-1,1,2-tricarboxylic acid
CID 54153831
ethane;2-propan-2-ylpentanoic acid
CID 175540570
2-(methylaminomethyl)-3-(2-methylpropyl)butanedioic acid
CID 22627126
methyl (2R,3R)-3-hydroxy-2-methylhexanoate
CID 12755434

Frequently Asked Questions

What is the IUPAC name of fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid?
The IUPAC name of fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid (CID 59060134) is fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid.
What is the SMILES notation for fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid?
The canonical SMILES for fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid is CCC[C@H](C(=O)OC)C(CC(C)C)C(=O)O.[Fm].
What is the InChIKey of fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid?
The InChIKey is UWNUHEJBTBLVSY-KKFCBZOWSA-N. The full InChI is InChI=1S/C12H22O4.Fm/c1-5-6-9(12(15)16-4)10(11(13)14)7-8(2)3;/h8-10H,5-7H2,1-4H3,(H,13,14);/t9-,10?;/m0./s1.
What are the key properties of fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid?
fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid has a molecular weight of 487.30 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid is sourced from PubChem (CID 59060134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).