1-tert-butyl-1-ethylcyclopropane

C9H18 — CID 58798513

IUPAC1-tert-butyl-1-ethylcyclopropane
SMILESCCC1(C(C)(C)C)CC1
InChIInChI=1S/C9H18/c1-5-9(6-7-9)8(2,3)4/h5-7H2,1-4H3
InChIKeyDJDVTNPRRKVNIS-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds1

About 1-tert-butyl-1-ethylcyclopropane

1-tert-butyl-1-ethylcyclopropane (PubChem CID 58798513) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1-tert-butyl-1-ethylcyclopropane.

Molecular Properties

Compound Name1-tert-butyl-1-ethylcyclopropane
PubChem CID58798513
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1-tert-butyl-1-ethylcyclopropane
SMILESCCC1(C(C)(C)C)CC1
InChIInChI=1S/C9H18/c1-5-9(6-7-9)8(2,3)4/h5-7H2,1-4H3
InChIKeyDJDVTNPRRKVNIS-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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-tert-butyl-1-ethylcyclopropane?
The IUPAC name of 1-tert-butyl-1-ethylcyclopropane (CID 58798513) is 1-tert-butyl-1-ethylcyclopropane.
What is the SMILES notation for 1-tert-butyl-1-ethylcyclopropane?
The canonical SMILES for 1-tert-butyl-1-ethylcyclopropane is CCC1(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-1-ethylcyclopropane?
The InChIKey is DJDVTNPRRKVNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-5-9(6-7-9)8(2,3)4/h5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-1-ethylcyclopropane?
1-tert-butyl-1-ethylcyclopropane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-ethylcyclopropane is sourced from PubChem (CID 58798513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).