dipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate

C26H46O6 — CID 139989306

IUPACdipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate
SMILESCCCOC(=O)C(CC)(OC1CCCCC1)C(CC)(OC1CCCCC1)C(=O)OCCC
InChIInChI=1S/C26H46O6/c1-5-19-29-23(27)25(7-3,31-21-15-11-9-12-16-21)26(8-4,24(28)30-20-6-2)32-22-17-13-10-14-18-22/h21-22H,5-20H2,1-4H3
InChIKeyRKPFURZMCKREMR-UHFFFAOYSA-N
MW454.65 g/mol
LogP5.89
Rot. Bonds13

About dipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate

dipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate (PubChem CID 139989306) has the molecular formula C26H46O6 and a molecular weight of 454.65 g/mol. Its IUPAC name is dipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate.

Molecular Properties

Compound Namedipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate
PubChem CID139989306
Molecular FormulaC26H46O6
Molecular Weight454.65 g/mol
Exact Mass454.33
IUPAC Namedipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate
SMILESCCCOC(=O)C(CC)(OC1CCCCC1)C(CC)(OC1CCCCC1)C(=O)OCCC
InChIInChI=1S/C26H46O6/c1-5-19-29-23(27)25(7-3,31-21-15-11-9-12-16-21)26(8-4,24(28)30-20-6-2)32-22-17-13-10-14-18-22/h21-22H,5-20H2,1-4H3
InChIKeyRKPFURZMCKREMR-UHFFFAOYSA-N
XLogP5.89
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.65
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dipentyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate
CID 139989336
2-cyclopentyloxy-2-ethylbutanoic acid
CID 114987710
6-O-(2-cyclohexylethyl) 1-O-propyl hexanedioate
CID 91725827
tricyclohexyl propane-1,1,1-tricarboxylate
CID 141164819
propyl (E)-3-cyclohexylprop-2-enoate
CID 10750409
propyl 3-cyclopentylpropanoate
CID 43389546
propyl 2-amino-2-cyclohexylacetate
CID 61016884
propoxycyclooctane
CID 54078990
propyl 2,2-difluorobutanoate
CID 88537819
1-O-cyclohexyl 5-O-(2-hydroxyethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 54002793
propyl (E)-3-cyclopentylprop-2-enoate
CID 10679014
1-O-propyl 2-O-tetradecyl cyclohexane-1,2-dicarboxylate
CID 69474239

Frequently Asked Questions

What is the IUPAC name of dipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate?
The IUPAC name of dipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate (CID 139989306) is dipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate.
What is the SMILES notation for dipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate?
The canonical SMILES for dipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate is CCCOC(=O)C(CC)(OC1CCCCC1)C(CC)(OC1CCCCC1)C(=O)OCCC.
What is the InChIKey of dipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate?
The InChIKey is RKPFURZMCKREMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O6/c1-5-19-29-23(27)25(7-3,31-21-15-11-9-12-16-21)26(8-4,24(28)30-20-6-2)32-22-17-13-10-14-18-22/h21-22H,5-20H2,1-4H3.
What are the key properties of dipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate?
dipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate has a molecular weight of 454.65 g/mol, XLogP of 5.89, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2,3-dicyclohexyloxy-2,3-diethylbutanedioate is sourced from PubChem (CID 139989306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).