(2R,3R)-2,3-dicyclohexyloxybutanedioic acid

C16H26O6 — CID 90149743

IUPAC(2R,3R)-2,3-dicyclohexyloxybutanedioic acid
SMILESO=C(O)[C@H](OC1CCCCC1)[C@@H](OC1CCCCC1)C(=O)O
InChIInChI=1S/C16H26O6/c17-15(18)13(21-11-7-3-1-4-8-11)14(16(19)20)22-12-9-5-2-6-10-12/h11-14H,1-10H2,(H,17,18)(H,19,20)/t13-,14-/m1/s1
InChIKeyYEFGBSUYSXZEQU-ZIAGYGMSSA-N
MW314.38 g/mol
LogP2.59
Rot. Bonds7

About (2R,3R)-2,3-dicyclohexyloxybutanedioic acid

(2R,3R)-2,3-dicyclohexyloxybutanedioic acid (PubChem CID 90149743) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2R,3R)-2,3-dicyclohexyloxybutanedioic acid.

Molecular Properties

Compound Name(2R,3R)-2,3-dicyclohexyloxybutanedioic acid
PubChem CID90149743
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name(2R,3R)-2,3-dicyclohexyloxybutanedioic acid
SMILESO=C(O)[C@H](OC1CCCCC1)[C@@H](OC1CCCCC1)C(=O)O
InChIInChI=1S/C16H26O6/c17-15(18)13(21-11-7-3-1-4-8-11)14(16(19)20)22-12-9-5-2-6-10-12/h11-14H,1-10H2,(H,17,18)(H,19,20)/t13-,14-/m1/s1
InChIKeyYEFGBSUYSXZEQU-ZIAGYGMSSA-N
XLogP2.59
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-cyclopropyloxy-3-methylpentanoic acid
CID 170443442
diethyl 2,3-dicyclopentyloxybutanedioate
CID 139989407
(2R,3R)-2,3-bis[(4-tert-butylcyclohexyl)oxy]butanedioic acid
CID 70926789
2-cyclohexyloxy-2-phenylacetic acid
CID 43424351
cycloheptyl hydrogen carbonate
CID 23179405
1-cyclohexyloxyethyl acetate
CID 58944366
azane;cyclohexyl hydrogen carbonate
CID 67723937
(2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid
CID 167015607
3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid
CID 67760146
9-cyclohexyloxyoctadecanoic acid
CID 22371636
dicyclononyl carbonate
CID 139618210
propan-2-yloxycycloundecane
CID 91254526

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dicyclohexyloxybutanedioic acid?
The IUPAC name of (2R,3R)-2,3-dicyclohexyloxybutanedioic acid (CID 90149743) is (2R,3R)-2,3-dicyclohexyloxybutanedioic acid.
What is the SMILES notation for (2R,3R)-2,3-dicyclohexyloxybutanedioic acid?
The canonical SMILES for (2R,3R)-2,3-dicyclohexyloxybutanedioic acid is O=C(O)[C@H](OC1CCCCC1)[C@@H](OC1CCCCC1)C(=O)O.
What is the InChIKey of (2R,3R)-2,3-dicyclohexyloxybutanedioic acid?
The InChIKey is YEFGBSUYSXZEQU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H26O6/c17-15(18)13(21-11-7-3-1-4-8-11)14(16(19)20)22-12-9-5-2-6-10-12/h11-14H,1-10H2,(H,17,18)(H,19,20)/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-2,3-dicyclohexyloxybutanedioic acid?
(2R,3R)-2,3-dicyclohexyloxybutanedioic acid has a molecular weight of 314.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dicyclohexyloxybutanedioic acid is sourced from PubChem (CID 90149743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).