2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid

C20H36O4 — CID 70926166

IUPAC2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid
SMILESCCCCC(CC)(C(=O)O)C(CCCC)(C(=O)O)C1CCCCC1
InChIInChI=1S/C20H36O4/c1-4-7-14-19(6-3,17(21)22)20(18(23)24,15-8-5-2)16-12-10-9-11-13-16/h16H,4-15H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyOQFZYCMTESWQBY-UHFFFAOYSA-N
MW340.50 g/mol
LogP5.50
Rot. Bonds11

About 2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid

2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid (PubChem CID 70926166) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is 2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid.

Molecular Properties

Compound Name2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid
PubChem CID70926166
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid
SMILESCCCCC(CC)(C(=O)O)C(CCCC)(C(=O)O)C1CCCCC1
InChIInChI=1S/C20H36O4/c1-4-7-14-19(6-3,17(21)22)20(18(23)24,15-8-5-2)16-12-10-9-11-13-16/h16H,4-15H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyOQFZYCMTESWQBY-UHFFFAOYSA-N
XLogP5.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.50
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 151529268
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CID 175087816
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CID 106488140
magnesium;2-cyclohexyl-2-ethylpropanedioic acid;hydride
CID 174968712
2-butyl-2-cyclohexyl-3-pentylidenebutanedioic acid
CID 70925921
2-cyclohexyl-2-hexylhexanedioic acid
CID 66598737
2-cyclohexyl-2-sulfanylbutanoic acid
CID 174351783
2-cyclohexyl-2-hydroxyhexanal
CID 174819252
2-cyclopentyl-2-(4-methylphenyl)hexanoic acid
CID 123343946
3-octadecyl-3-pentadecyl-2,2-di(tetradecyl)henicosanoic acid
CID 87337627
2-(cyclobutylmethyl)-2-ethylhexanoic acid
CID 79425365
2-cyclohexyl-2-dipropylsilylbutanoic acid
CID 152592863

Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid?
The IUPAC name of 2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid (CID 70926166) is 2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid.
What is the SMILES notation for 2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid?
The canonical SMILES for 2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid is CCCCC(CC)(C(=O)O)C(CCCC)(C(=O)O)C1CCCCC1.
What is the InChIKey of 2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid?
The InChIKey is OQFZYCMTESWQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4/c1-4-7-14-19(6-3,17(21)22)20(18(23)24,15-8-5-2)16-12-10-9-11-13-16/h16H,4-15H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid?
2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid has a molecular weight of 340.50 g/mol, XLogP of 5.50, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-2-cyclohexyl-3-ethylbutanedioic acid is sourced from PubChem (CID 70926166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).