[(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate

C15H28O2 — CID 140896697

IUPAC[(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate
SMILESCC[C@@H](C)C(C)(C)OC(=O)C1(C(C)(C)C)CC1
InChIInChI=1S/C15H28O2/c1-8-11(2)14(6,7)17-12(16)15(9-10-15)13(3,4)5/h11H,8-10H2,1-7H3/t11-/m1/s1
InChIKeyUCJISLUVUORZDN-LLVKDONJSA-N
MW240.39 g/mol
LogP4.18
Rot. Bonds4

About [(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate

[(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate (PubChem CID 140896697) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is [(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate
PubChem CID140896697
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name[(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate
SMILESCC[C@@H](C)C(C)(C)OC(=O)C1(C(C)(C)C)CC1
InChIInChI=1S/C15H28O2/c1-8-11(2)14(6,7)17-12(16)15(9-10-15)13(3,4)5/h11H,8-10H2,1-7H3/t11-/m1/s1
InChIKeyUCJISLUVUORZDN-LLVKDONJSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate?
The IUPAC name of [(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate (CID 140896697) is [(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate.
What is the SMILES notation for [(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate?
The canonical SMILES for [(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate is CC[C@@H](C)C(C)(C)OC(=O)C1(C(C)(C)C)CC1.
What is the InChIKey of [(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate?
The InChIKey is UCJISLUVUORZDN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H28O2/c1-8-11(2)14(6,7)17-12(16)15(9-10-15)13(3,4)5/h11H,8-10H2,1-7H3/t11-/m1/s1.
What are the key properties of [(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate?
[(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate has a molecular weight of 240.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate is sourced from PubChem (CID 140896697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).