(4R)-2-ethoxy-4-methylhexanoic acid

C9H18O3 — CID 142224466

IUPAC(4R)-2-ethoxy-4-methylhexanoic acid
SMILESCCOC(C[C@H](C)CC)C(=O)O
InChIInChI=1S/C9H18O3/c1-4-7(3)6-8(9(10)11)12-5-2/h7-8H,4-6H2,1-3H3,(H,10,11)/t7-,8?/m1/s1
InChIKeyNDRWVONFBLGRGJ-GVHYBUMESA-N
MW174.24 g/mol
LogP1.91
Rot. Bonds6

About (4R)-2-ethoxy-4-methylhexanoic acid

(4R)-2-ethoxy-4-methylhexanoic acid (PubChem CID 142224466) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (4R)-2-ethoxy-4-methylhexanoic acid.

Molecular Properties

Compound Name(4R)-2-ethoxy-4-methylhexanoic acid
PubChem CID142224466
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(4R)-2-ethoxy-4-methylhexanoic acid
SMILESCCOC(C[C@H](C)CC)C(=O)O
InChIInChI=1S/C9H18O3/c1-4-7(3)6-8(9(10)11)12-5-2/h7-8H,4-6H2,1-3H3,(H,10,11)/t7-,8?/m1/s1
InChIKeyNDRWVONFBLGRGJ-GVHYBUMESA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yloxy-2-ethoxypropanoic acid
CID 63074689
2-ethoxy-3-(4-methylpentan-2-yloxy)propanoic acid
CID 63074300
(2R)-2-ethoxybutanedioic acid
CID 101245963
3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid
CID 63068258
2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid
CID 63072762
2-ethoxybutanoyl 2-ethoxybutanoate
CID 87083983
2-ethoxybutanoate
CID 21321797
2-ethoxy-3-(3-hydroxy-2-methylpropyl)sulfanylpropanoic acid
CID 66103885
4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid
CID 63068638
4-bromo-2-ethoxybutanoic acid
CID 174871505
(4R)-4-ethoxy-2-methylhexan-3-one
CID 176614582
(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
CID 163059027

Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethoxy-4-methylhexanoic acid?
The IUPAC name of (4R)-2-ethoxy-4-methylhexanoic acid (CID 142224466) is (4R)-2-ethoxy-4-methylhexanoic acid.
What is the SMILES notation for (4R)-2-ethoxy-4-methylhexanoic acid?
The canonical SMILES for (4R)-2-ethoxy-4-methylhexanoic acid is CCOC(C[C@H](C)CC)C(=O)O.
What is the InChIKey of (4R)-2-ethoxy-4-methylhexanoic acid?
The InChIKey is NDRWVONFBLGRGJ-GVHYBUMESA-N. The full InChI is InChI=1S/C9H18O3/c1-4-7(3)6-8(9(10)11)12-5-2/h7-8H,4-6H2,1-3H3,(H,10,11)/t7-,8?/m1/s1.
What are the key properties of (4R)-2-ethoxy-4-methylhexanoic acid?
(4R)-2-ethoxy-4-methylhexanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethoxy-4-methylhexanoic acid is sourced from PubChem (CID 142224466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).