1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane

C12H24 — CID 123895340

IUPAC1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane
SMILESCCC1CC1(C)CC(C)C(C)C
InChIInChI=1S/C12H24/c1-6-11-8-12(11,5)7-10(4)9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyJIJULHFETKRVQY-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds4

About 1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane

1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane (PubChem CID 123895340) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane.

Molecular Properties

Compound Name1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane
PubChem CID123895340
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane
SMILESCCC1CC1(C)CC(C)C(C)C
InChIInChI=1S/C12H24/c1-6-11-8-12(11,5)7-10(4)9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyJIJULHFETKRVQY-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4,5-dimethylhexan-2-yl)-2-ethyl-1-methylcyclopropane
CID 123606355
1-(3,4-dimethylpentyl)-2-ethyl-1-methylcyclopentane
CID 145235208
(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327
1-ethyl-1-methyl-2-(2,2,2-trifluoroethyl)cyclopropane
CID 121274275
5-ethyl-1-(3-ethyl-2,4-dimethylpentyl)-1,2,4-trimethylcyclohexane
CID 90780885
(4R,5R)-2-[(2S)-2,3-dimethylbutyl]-2-ethyl-4,5-dimethyl-1,3-dioxolane
CID 10727392
5-(2-ethyl-1-methylcyclopropyl)-2-methylpentan-2-ol
CID 59005357
(2-ethyl-1-methylcyclopropyl)methyl dihydrogen phosphate
CID 89240653
N-[(2-ethyl-2-methylcyclopropyl)methyl]propan-2-amine
CID 62704797
1-(2,3-dimethylbutyl)-3-ethylcyclopentane
CID 123993465
2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
CID 91239546
(2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
CID 162292361

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane?
The IUPAC name of 1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane (CID 123895340) is 1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane.
What is the SMILES notation for 1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane?
The canonical SMILES for 1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane is CCC1CC1(C)CC(C)C(C)C.
What is the InChIKey of 1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane?
The InChIKey is JIJULHFETKRVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-11-8-12(11,5)7-10(4)9(2)3/h9-11H,6-8H2,1-5H3.
What are the key properties of 1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane?
1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutyl)-2-ethyl-1-methylcyclopropane is sourced from PubChem (CID 123895340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).