trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate

C15H26O4 — CID 57319140

IUPACtrans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
SMILESCOC(=O)[C@H]1CC[C@@](C)(C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C15H26O4/c1-13(2,3)19-12(17)15(6)9-8-10(11(16)18-7)14(15,4)5/h10H,8-9H2,1-7H3/t10-,15+/m1/s1
InChIKeyZVQCQYXEMYKKAU-BMIGLBTASA-N
MW270.37 g/mol
LogP2.94
Rot. Bonds2

About trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate

trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate (PubChem CID 57319140) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate.

Molecular Properties

Compound Nametrans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
PubChem CID57319140
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Nametrans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
SMILESCOC(=O)[C@H]1CC[C@@](C)(C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C15H26O4/c1-13(2,3)19-12(17)15(6)9-8-10(11(16)18-7)14(15,4)5/h10H,8-9H2,1-7H3/t10-,15+/m1/s1
InChIKeyZVQCQYXEMYKKAU-BMIGLBTASA-N
XLogP2.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl 1,2,2-trimethyl-1,3-cyclopentanedicarboxylate
CID 348846
3-(Methoxycarbonyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 274491
3-(Methoxycarbonyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 2736737
Bis-(1H,1H,7H-perfluoroheptyl) (1S,3R)-camphorate
CID 20055572
(1R,2S,4R)-4-methoxycarbonyl-2,3,3-trimethylcyclopentane-1-carboxylic acid
CID 24982151
(1S,2R,4S)-4-methoxycarbonyl-2,3,3-trimethylcyclopentane-1-carboxylic acid
CID 15539261
dimethyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 2770979
Methyl camphorate sodium
CID 23720118
1,3-Cyclopentanedicarboxylic acid, 1,2-dimethyl-4,5-dioxo-, 1,3-diethyl ester
CID 175232
(1R,3S)-3-[(tert-butoxy)carbonyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 59077113
3-(Methoxycarbonyl)-2,2-dimethylcyclopentane-1-carboxylic acid
CID 4092391
Bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 2736060

Frequently Asked Questions

What is the IUPAC name of trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate?
The IUPAC name of trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate (CID 57319140) is trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate.
What is the SMILES notation for trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate?
The canonical SMILES for trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate is COC(=O)[C@H]1CC[C@@](C)(C(=O)OC(C)(C)C)C1(C)C.
What is the InChIKey of trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate?
The InChIKey is ZVQCQYXEMYKKAU-BMIGLBTASA-N. The full InChI is InChI=1S/C15H26O4/c1-13(2,3)19-12(17)15(6)9-8-10(11(16)18-7)14(15,4)5/h10H,8-9H2,1-7H3/t10-,15+/m1/s1.
What are the key properties of trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate?
trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-1-O-tert-butyl 3-O-methyl (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate is sourced from PubChem (CID 57319140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).