1-ethyl-1-methyl-2-propylcyclopropane

C9H18 — CID 72514753

IUPAC1-ethyl-1-methyl-2-propylcyclopropane
SMILESCCCC1CC1(C)CC
InChIInChI=1S/C9H18/c1-4-6-8-7-9(8,3)5-2/h8H,4-7H2,1-3H3
InChIKeyNDMAVQTZMBACIR-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds3

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

1-ethyl-1-methyl-2-propylcyclopropane (PubChem CID 72514753) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1-ethyl-1-methyl-2-propylcyclopropane.

Molecular Properties

Compound Name1-ethyl-1-methyl-2-propylcyclopropane
PubChem CID72514753
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1-ethyl-1-methyl-2-propylcyclopropane
SMILESCCCC1CC1(C)CC
InChIInChI=1S/C9H18/c1-4-6-8-7-9(8,3)5-2/h8H,4-7H2,1-3H3
InChIKeyNDMAVQTZMBACIR-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-2-propylcyclopropane?
The IUPAC name of 1-ethyl-1-methyl-2-propylcyclopropane (CID 72514753) is 1-ethyl-1-methyl-2-propylcyclopropane.
What is the SMILES notation for 1-ethyl-1-methyl-2-propylcyclopropane?
The canonical SMILES for 1-ethyl-1-methyl-2-propylcyclopropane is CCCC1CC1(C)CC.
What is the InChIKey of 1-ethyl-1-methyl-2-propylcyclopropane?
The InChIKey is NDMAVQTZMBACIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-4-6-8-7-9(8,3)5-2/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-1-methyl-2-propylcyclopropane?
1-ethyl-1-methyl-2-propylcyclopropane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-2-propylcyclopropane is sourced from PubChem (CID 72514753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).