2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one

C15H24O2 — CID 71034991

IUPAC2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one
SMILESCCC(=O)[C@@H]1CC1CC1C[C@@H]1C(=O)C(C)(C)C
InChIInChI=1S/C15H24O2/c1-5-13(16)11-7-9(11)6-10-8-12(10)14(17)15(2,3)4/h9-12H,5-8H2,1-4H3/t9?,10?,11-,12+/m1/s1
InChIKeyWIKXARYMRYSJAU-HCWSGVFWSA-N
MW236.35 g/mol
LogP3.24
Rot. Bonds5

About 2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one

2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one (PubChem CID 71034991) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one
PubChem CID71034991
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one
SMILESCCC(=O)[C@@H]1CC1CC1C[C@@H]1C(=O)C(C)(C)C
InChIInChI=1S/C15H24O2/c1-5-13(16)11-7-9(11)6-10-8-12(10)14(17)15(2,3)4/h9-12H,5-8H2,1-4H3/t9?,10?,11-,12+/m1/s1
InChIKeyWIKXARYMRYSJAU-HCWSGVFWSA-N
XLogP3.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one (CID 71034991) is 2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one is CCC(=O)[C@@H]1CC1CC1C[C@@H]1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one?
The InChIKey is WIKXARYMRYSJAU-HCWSGVFWSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-13(16)11-7-9(11)6-10-8-12(10)14(17)15(2,3)4/h9-12H,5-8H2,1-4H3/t9?,10?,11-,12+/m1/s1.
What are the key properties of 2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one?
2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(1S)-2-[[(2R)-2-propanoylcyclopropyl]methyl]cyclopropyl]propan-1-one is sourced from PubChem (CID 71034991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).