1-butyl-2-ethyl-1-methyl-2-propylcyclopropane

C13H26 — CID 90758009

IUPAC1-butyl-2-ethyl-1-methyl-2-propylcyclopropane
SMILESCCCCC1(C)CC1(CC)CCC
InChIInChI=1S/C13H26/c1-5-8-10-12(4)11-13(12,7-3)9-6-2/h5-11H2,1-4H3
InChIKeyMKSWNGMMRKYVMM-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.78
Rot. Bonds6

About 1-butyl-2-ethyl-1-methyl-2-propylcyclopropane

1-butyl-2-ethyl-1-methyl-2-propylcyclopropane (PubChem CID 90758009) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1-butyl-2-ethyl-1-methyl-2-propylcyclopropane.

Molecular Properties

Compound Name1-butyl-2-ethyl-1-methyl-2-propylcyclopropane
PubChem CID90758009
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1-butyl-2-ethyl-1-methyl-2-propylcyclopropane
SMILESCCCCC1(C)CC1(CC)CCC
InChIInChI=1S/C13H26/c1-5-8-10-12(4)11-13(12,7-3)9-6-2/h5-11H2,1-4H3
InChIKeyMKSWNGMMRKYVMM-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethyl-1-methyl-2-propylcyclopropane?
The IUPAC name of 1-butyl-2-ethyl-1-methyl-2-propylcyclopropane (CID 90758009) is 1-butyl-2-ethyl-1-methyl-2-propylcyclopropane.
What is the SMILES notation for 1-butyl-2-ethyl-1-methyl-2-propylcyclopropane?
The canonical SMILES for 1-butyl-2-ethyl-1-methyl-2-propylcyclopropane is CCCCC1(C)CC1(CC)CCC.
What is the InChIKey of 1-butyl-2-ethyl-1-methyl-2-propylcyclopropane?
The InChIKey is MKSWNGMMRKYVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-8-10-12(4)11-13(12,7-3)9-6-2/h5-11H2,1-4H3.
What are the key properties of 1-butyl-2-ethyl-1-methyl-2-propylcyclopropane?
1-butyl-2-ethyl-1-methyl-2-propylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethyl-1-methyl-2-propylcyclopropane is sourced from PubChem (CID 90758009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).