bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate

C24H42O6 — CID 70925701

IUPACbis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate
SMILESCC(C)(C)C1CCC(OC(=O)[C@H](O)[C@@H](O)C(=O)OC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H42O6/c1-23(2,3)15-7-11-17(12-8-15)29-21(27)19(25)20(26)22(28)30-18-13-9-16(10-14-18)24(4,5)6/h15-20,25-26H,7-14H2,1-6H3/t15?,16?,17?,18?,19-,20-/m1/s1
InChIKeyUEGYLOJHKXCEOT-MHUBRMLGSA-N
MW426.59 g/mol
LogP4.00
Rot. Bonds5

About bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate

bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate (PubChem CID 70925701) has the molecular formula C24H42O6 and a molecular weight of 426.59 g/mol. Its IUPAC name is bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate
PubChem CID70925701
Molecular FormulaC24H42O6
Molecular Weight426.59 g/mol
Exact Mass426.30
IUPAC Namebis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate
SMILESCC(C)(C)C1CCC(OC(=O)[C@H](O)[C@@H](O)C(=O)OC2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H42O6/c1-23(2,3)15-7-11-17(12-8-15)29-21(27)19(25)20(26)22(28)30-18-13-9-16(10-14-18)24(4,5)6/h15-20,25-26H,7-14H2,1-6H3/t15?,16?,17?,18?,19-,20-/m1/s1
InChIKeyUEGYLOJHKXCEOT-MHUBRMLGSA-N
XLogP4.00
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate?
The IUPAC name of bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate (CID 70925701) is bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate.
What is the SMILES notation for bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate?
The canonical SMILES for bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate is CC(C)(C)C1CCC(OC(=O)[C@H](O)[C@@H](O)C(=O)OC2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate?
The InChIKey is UEGYLOJHKXCEOT-MHUBRMLGSA-N. The full InChI is InChI=1S/C24H42O6/c1-23(2,3)15-7-11-17(12-8-15)29-21(27)19(25)20(26)22(28)30-18-13-9-16(10-14-18)24(4,5)6/h15-20,25-26H,7-14H2,1-6H3/t15?,16?,17?,18?,19-,20-/m1/s1.
What are the key properties of bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate?
bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate has a molecular weight of 426.59 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylcyclohexyl) (2R,3R)-2,3-dihydroxybutanedioate is sourced from PubChem (CID 70925701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).