(4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane

C26H50 — CID 159304201

IUPAC(4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane
SMILESCC(C)C1CC2C[C@@H]1CC2C(C)(C)C.CC(C)C1CCC(C(C)(C)C)C1
InChIInChI=1S/C14H26.C12H24/c1-9(2)12-7-11-6-10(12)8-13(11)14(3,4)5;1-9(2)10-6-7-11(8-10)12(3,4)5/h9-13H,6-8H2,1-5H3;9-11H,6-8H2,1-5H3/t10-,11?,12?,13?;/m1./s1
InChIKeyLBSCJRUHSXDTSG-UUUADPPHSA-N
MW362.69 g/mol
LogP8.46
Rot. Bonds2

About (4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane

(4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane (PubChem CID 159304201) has the molecular formula C26H50 and a molecular weight of 362.69 g/mol. Its IUPAC name is (4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane.

Molecular Properties

Compound Name(4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane
PubChem CID159304201
Molecular FormulaC26H50
Molecular Weight362.69 g/mol
Exact Mass362.39
IUPAC Name(4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane
SMILESCC(C)C1CC2C[C@@H]1CC2C(C)(C)C.CC(C)C1CCC(C(C)(C)C)C1
InChIInChI=1S/C14H26.C12H24/c1-9(2)12-7-11-6-10(12)8-13(11)14(3,4)5;1-9(2)10-6-7-11(8-10)12(3,4)5/h9-13H,6-8H2,1-5H3;9-11H,6-8H2,1-5H3/t10-,11?,12?,13?;/m1./s1
InChIKeyLBSCJRUHSXDTSG-UUUADPPHSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.69
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane 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

(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
tert-butylcyclopropane;1-cyclopropylethylcyclopropane
CID 157166349
trans-(1R,2S)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 167553604
trans-(1S,2R)-1-tert-butyl-2-propan-2-ylcyclopropane
CID 59026893
2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
1-(4-propan-2-ylcyclohexyl)ethane-1,1-diol
CID 118424353
cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane
CID 162051954
1-tert-butyl-2-propan-2-ylcyclohexane
CID 59820112
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
1,3-ditert-butylcyclopentane;ethane
CID 161179598
N-cyclopentyl-3-propan-2-ylcyclopentan-1-amine
CID 130628636
1-(4-tert-butylcyclohexyl)ethanol;ethane
CID 144559902

Frequently Asked Questions

What is the IUPAC name of (4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane?
The IUPAC name of (4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane (CID 159304201) is (4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane.
What is the SMILES notation for (4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane?
The canonical SMILES for (4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane is CC(C)C1CC2C[C@@H]1CC2C(C)(C)C.CC(C)C1CCC(C(C)(C)C)C1.
What is the InChIKey of (4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane?
The InChIKey is LBSCJRUHSXDTSG-UUUADPPHSA-N. The full InChI is InChI=1S/C14H26.C12H24/c1-9(2)12-7-11-6-10(12)8-13(11)14(3,4)5;1-9(2)10-6-7-11(8-10)12(3,4)5/h9-13H,6-8H2,1-5H3;9-11H,6-8H2,1-5H3/t10-,11?,12?,13?;/m1./s1.
What are the key properties of (4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane?
(4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane has a molecular weight of 362.69 g/mol, XLogP of 8.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-tert-butyl-5-propan-2-ylbicyclo[2.2.1]heptane;1-tert-butyl-3-propan-2-ylcyclopentane is sourced from PubChem (CID 159304201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).