3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one

C13H22O — CID 114978161

IUPAC3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one
SMILESCC1(C)C(C(=O)CCC2CC2)C1(C)C
InChIInChI=1S/C13H22O/c1-12(2)11(13(12,3)4)10(14)8-7-9-5-6-9/h9,11H,5-8H2,1-4H3
InChIKeyFUDAVWSGLRTFGP-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.43
Rot. Bonds4

About 3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one

3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one (PubChem CID 114978161) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one
PubChem CID114978161
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one
SMILESCC1(C)C(C(=O)CCC2CC2)C1(C)C
InChIInChI=1S/C13H22O/c1-12(2)11(13(12,3)4)10(14)8-7-9-5-6-9/h9,11H,5-8H2,1-4H3
InChIKeyFUDAVWSGLRTFGP-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114973953
3-cyclohexyl-1-(4,4-dimethylcyclohexyl)propan-1-one
CID 114191901
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
3-(4,4-dimethylcyclohexyl)propanoic acid
CID 161463484
3-cyclopropylpropanamide
CID 53414720
3-cyclopropylpropanethioic S-acid
CID 57066246
3-cycloheptyl-1-cyclopropylpropan-1-one
CID 82923813
1-(4-aminocyclopent-2-en-1-yl)-3-cyclopropylpropan-1-one
CID 116584980
1-cyclohexyl-5-methylhex-4-en-3-one
CID 115780649
methyl 4-cyclohexyl-2-oxobutanoate
CID 102124215
3-cyclopropyl-1-(3,5-dimethyl-1-adamantyl)propan-1-one
CID 79986938
1-cyclopropyl-4-hydroxy-5,5-dimethylhexan-3-one
CID 103456307

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one?
The IUPAC name of 3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one (CID 114978161) is 3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one is CC1(C)C(C(=O)CCC2CC2)C1(C)C.
What is the InChIKey of 3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one?
The InChIKey is FUDAVWSGLRTFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-12(2)11(13(12,3)4)10(14)8-7-9-5-6-9/h9,11H,5-8H2,1-4H3.
What are the key properties of 3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one?
3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one has a molecular weight of 194.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one is sourced from PubChem (CID 114978161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).