[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate

C15H26O2 — CID 91693481

IUPAC[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate
SMILESCC[C@@H](C)C(=O)OC[C@@H]1[C@@H](C=C(C)C)C1(C)C
InChIInChI=1S/C15H26O2/c1-7-11(4)14(16)17-9-13-12(8-10(2)3)15(13,5)6/h8,11-13H,7,9H2,1-6H3/t11-,12-,13-/m1/s1
InChIKeyCJPPGYWMNBQMSY-JHJVBQTASA-N
MW238.37 g/mol
LogP3.81
Rot. Bonds5

About [(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate

[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate (PubChem CID 91693481) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate.

Molecular Properties

Compound Name[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate
PubChem CID91693481
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate
SMILESCC[C@@H](C)C(=O)OC[C@@H]1[C@@H](C=C(C)C)C1(C)C
InChIInChI=1S/C15H26O2/c1-7-11(4)14(16)17-9-13-12(8-10(2)3)15(13,5)6/h8,11-13H,7,9H2,1-6H3/t11-,12-,13-/m1/s1
InChIKeyCJPPGYWMNBQMSY-JHJVBQTASA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate?
The IUPAC name of [(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate (CID 91693481) is [(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate.
What is the SMILES notation for [(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate?
The canonical SMILES for [(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate is CC[C@@H](C)C(=O)OC[C@@H]1[C@@H](C=C(C)C)C1(C)C.
What is the InChIKey of [(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate?
The InChIKey is CJPPGYWMNBQMSY-JHJVBQTASA-N. The full InChI is InChI=1S/C15H26O2/c1-7-11(4)14(16)17-9-13-12(8-10(2)3)15(13,5)6/h8,11-13H,7,9H2,1-6H3/t11-,12-,13-/m1/s1.
What are the key properties of [(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate?
[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate has a molecular weight of 238.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (2R)-2-methylbutanoate is sourced from PubChem (CID 91693481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).