diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate

C19H34O4 — CID 174616353

IUPACdiethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate
SMILESCCOC(=O)C(C)C(CC(C)C)(C(=O)OCC)C1CCCCC1
InChIInChI=1S/C19H34O4/c1-6-22-17(20)15(5)19(13-14(3)4,18(21)23-7-2)16-11-9-8-10-12-16/h14-16H,6-13H2,1-5H3
InChIKeyHMDRZIIITQDCMH-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.36
Rot. Bonds8

About diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate

diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate (PubChem CID 174616353) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate.

Molecular Properties

Compound Namediethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate
PubChem CID174616353
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Namediethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate
SMILESCCOC(=O)C(C)C(CC(C)C)(C(=O)OCC)C1CCCCC1
InChIInChI=1S/C19H34O4/c1-6-22-17(20)15(5)19(13-14(3)4,18(21)23-7-2)16-11-9-8-10-12-16/h14-16H,6-13H2,1-5H3
InChIKeyHMDRZIIITQDCMH-UHFFFAOYSA-N
XLogP4.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 70189214
3-cyclopentyl-3-ethoxycarbonyl-2-propan-2-ylpentanoic acid
CID 70869370
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
diethyl 2-cyclohexyl-2-methoxypropanedioate
CID 67553135
ethyl 2-(cyclopentylamino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868165
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate
CID 106488918
bis(2-methylpropyl) 2-cyclohexyl-2-(2-methylpropyl)propanedioate
CID 118088527
2-methylpropyl 2-cyclohexyl-2-methylpropanoate
CID 162502207
ethyl 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoate
CID 12060177
2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
ethyl 2-cyclohexyl-2-ethoxypropanoate
CID 141274224
bis(2,2-dimethylpropyl) 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 118088481

Frequently Asked Questions

What is the IUPAC name of diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate?
The IUPAC name of diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate (CID 174616353) is diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate.
What is the SMILES notation for diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate?
The canonical SMILES for diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate is CCOC(=O)C(C)C(CC(C)C)(C(=O)OCC)C1CCCCC1.
What is the InChIKey of diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate?
The InChIKey is HMDRZIIITQDCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c1-6-22-17(20)15(5)19(13-14(3)4,18(21)23-7-2)16-11-9-8-10-12-16/h14-16H,6-13H2,1-5H3.
What are the key properties of diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate?
diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate has a molecular weight of 326.48 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-cyclohexyl-3-methyl-2-(2-methylpropyl)butanedioate is sourced from PubChem (CID 174616353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).