2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one

C15H28O — CID 59143597

IUPAC2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one
SMILESCCCC(CC1CC1C)C(=O)CC(C)(C)C
InChIInChI=1S/C15H28O/c1-6-7-12(9-13-8-11(13)2)14(16)10-15(3,4)5/h11-13H,6-10H2,1-5H3
InChIKeyBMZIUJKHMYCAFK-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.45
Rot. Bonds6

About 2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one

2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one (PubChem CID 59143597) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one.

Molecular Properties

Compound Name2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one
PubChem CID59143597
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one
SMILESCCCC(CC1CC1C)C(=O)CC(C)(C)C
InChIInChI=1S/C15H28O/c1-6-7-12(9-13-8-11(13)2)14(16)10-15(3,4)5/h11-13H,6-10H2,1-5H3
InChIKeyBMZIUJKHMYCAFK-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-6,6-dimethyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
CID 59143511
2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]oct-7-en-4-one
CID 59143593
N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide
CID 20790184
2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylpentanamide
CID 21366377
1-cyclopentyl-6-methyl-3-[(2-methylcyclopropyl)methyl]heptan-4-one
CID 59143680
5-(2-cyclopropylethyl)-2,2,7,7-tetramethyloctan-4-one
CID 59143481
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide;N-tert-butyl-4,4-dimethyl-2-propylpentanamide;N-tert-butyl-2-(2,2-dimethylpropyl)pent-4-enamide;N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pentanamide;N-tert-butyl-2-propan-2-ylpentanamide;N,2-ditert-butylpentanamide
CID 161398995
1-(2,4-dimethylheptyl)-2-methylcyclopropane
CID 123484269
1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane
CID 91483698
5-(cyclopropylmethyl)-2-methyloctan-4-one
CID 59143682
1-cyclopropyl-4-propylheptan-3-one
CID 114978233
3-methyl-4-(2-methylcyclopropyl)butan-2-one
CID 91382640

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one?
The IUPAC name of 2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one (CID 59143597) is 2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one.
What is the SMILES notation for 2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one?
The canonical SMILES for 2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one is CCCC(CC1CC1C)C(=O)CC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one?
The InChIKey is BMZIUJKHMYCAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-6-7-12(9-13-8-11(13)2)14(16)10-15(3,4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one?
2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one has a molecular weight of 224.39 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(2-methylcyclopropyl)methyl]octan-4-one is sourced from PubChem (CID 59143597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).