1-(3-cyclopropylbutyl)-2-ethylcyclopropane

C12H22 — CID 123702350

IUPAC1-(3-cyclopropylbutyl)-2-ethylcyclopropane
SMILESCCC1CC1CCC(C)C1CC1
InChIInChI=1S/C12H22/c1-3-10-8-12(10)5-4-9(2)11-6-7-11/h9-12H,3-8H2,1-2H3
InChIKeyRMZFXUJDTPIXKV-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds5

About 1-(3-cyclopropylbutyl)-2-ethylcyclopropane

1-(3-cyclopropylbutyl)-2-ethylcyclopropane (PubChem CID 123702350) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-(3-cyclopropylbutyl)-2-ethylcyclopropane.

Molecular Properties

Compound Name1-(3-cyclopropylbutyl)-2-ethylcyclopropane
PubChem CID123702350
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-(3-cyclopropylbutyl)-2-ethylcyclopropane
SMILESCCC1CC1CCC(C)C1CC1
InChIInChI=1S/C12H22/c1-3-10-8-12(10)5-4-9(2)11-6-7-11/h9-12H,3-8H2,1-2H3
InChIKeyRMZFXUJDTPIXKV-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,4-dimethylpentyl)-2-ethylcyclopropane
CID 123908789
1-(3,4-dimethylheptyl)-2-ethylcyclopropane
CID 123989323
1-butyl-2-ethyl-5-pentan-2-ylcycloheptane
CID 123958612
1-ethyl-2-(5-methylhexyl)cyclopropane
CID 123182568
cis-(1S,2R)-1-ethyl-4-methyl-2-(3-methylbutyl)cyclopentane
CID 143682309
1-ethyl-2-[2-(2-methylcyclopropyl)ethyl]cyclopropane
CID 123992340
cis-(1S,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 173447814
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
trans-(1R,2R)-1-ethyl-2-(2-methylpropyl)cyclopropane
CID 168764244
1-ethyl-2-[(2-pentan-2-ylcyclopropyl)methyl]cyclopropane
CID 123666565
1-butyl-2-ethylcyclopropane;2-methylbutane;propane
CID 143683372
octan-2-ylcyclopropane
CID 18968125

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylbutyl)-2-ethylcyclopropane?
The IUPAC name of 1-(3-cyclopropylbutyl)-2-ethylcyclopropane (CID 123702350) is 1-(3-cyclopropylbutyl)-2-ethylcyclopropane.
What is the SMILES notation for 1-(3-cyclopropylbutyl)-2-ethylcyclopropane?
The canonical SMILES for 1-(3-cyclopropylbutyl)-2-ethylcyclopropane is CCC1CC1CCC(C)C1CC1.
What is the InChIKey of 1-(3-cyclopropylbutyl)-2-ethylcyclopropane?
The InChIKey is RMZFXUJDTPIXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-10-8-12(10)5-4-9(2)11-6-7-11/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(3-cyclopropylbutyl)-2-ethylcyclopropane?
1-(3-cyclopropylbutyl)-2-ethylcyclopropane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylbutyl)-2-ethylcyclopropane is sourced from PubChem (CID 123702350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).