(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane

C17H36O2 — CID 162048791

IUPAC(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane
SMILESC.C.CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1
InChIInChI=1S/C15H28O2.2CH4/c1-7-14(5,6)12(16)17-15(13(2,3)4)10-8-9-11-15;;/h7-11H2,1-6H3;2*1H4
InChIKeyYYGPSZHFXDGFKW-UHFFFAOYSA-N
MW272.47 g/mol
LogP5.60
Rot. Bonds3

About (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane

(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane (PubChem CID 162048791) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane.

Molecular Properties

Compound Name(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane
PubChem CID162048791
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane
SMILESC.C.CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1
InChIInChI=1S/C15H28O2.2CH4/c1-7-14(5,6)12(16)17-15(13(2,3)4)10-8-9-11-15;;/h7-11H2,1-6H3;2*1H4
InChIKeyYYGPSZHFXDGFKW-UHFFFAOYSA-N
XLogP5.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane 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

(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate
CID 58776795
[1-(3-ethylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 134352495
(1-tert-butylcyclohexyl) 2,2-dimethylbutanoate;(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclohexyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate
CID 161454309
tert-butyl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
CID 158168486
(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
CID 21049876
(1-ethenylcyclopentyl) 2,2-dimethylbutanoate
CID 121402444
(1-pentylcyclopentyl) 2,2-dimethylbutanoate
CID 118933720
2-(1-tert-butylcyclohexyl)oxy-2-oxoacetic acid
CID 138968394
2,3-dimethylbutan-2-yl 4-tert-butyl-4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
CID 157292574
(1-tert-butylcyclopentyl) acetate
CID 58430277
(1-pentan-3-ylcyclopentyl) 2,2-dimethylbutanoate
CID 121368371
(8-methylspiro[4.5]decan-8-yl) 2,2-dimethylbutanoate
CID 59602243

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane?
The IUPAC name of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane (CID 162048791) is (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane.
What is the SMILES notation for (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane?
The canonical SMILES for (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane is C.C.CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1.
What is the InChIKey of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane?
The InChIKey is YYGPSZHFXDGFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2.2CH4/c1-7-14(5,6)12(16)17-15(13(2,3)4)10-8-9-11-15;;/h7-11H2,1-6H3;2*1H4.
What are the key properties of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane?
(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane has a molecular weight of 272.47 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;methane is sourced from PubChem (CID 162048791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).