[(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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Related Compounds

1-(1-tert-butylcyclopropyl)propan-1-one
CID 158981534
2,3-dimethylpentan-2-yloxyboronic acid
CID 54520879
2,3-dimethylpentan-2-yl hypofluorite
CID 140594719
(3-hydroxy-2-methylpentan-2-yl) 3-(2,2-dimethylpropyl)dioxirane-3-carboxylate
CID 123696213
tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate
CID 103734836
1-(2,3-dimethylpentan-2-yloxy)propan-2-ol
CID 142712435
[5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate
CID 150132149
2-[1-[1-amino-2-[2-(2-methylpropanoyloxy)propan-2-yloxy]-2-oxoethyl]cyclohexyl]acetic acid
CID 68800596
(2S,3S)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoic acid
CID 122408523
tert-butyl 2-butan-2-yl-2,4,4-trimethylpentanoate
CID 123557963
2-(cyclopropylmethyl)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106490255
2-cyclohexylpropan-2-yl 2-butan-2-yl-2,4,4-trimethylpentanoate
CID 123182543

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).