1-ethyl-1-propan-2-ylcyclopropane

C8H16 — CID 22977902

IUPAC1-ethyl-1-propan-2-ylcyclopropane
SMILESCCC1(C(C)C)CC1
InChIInChI=1S/C8H16/c1-4-8(5-6-8)7(2)3/h7H,4-6H2,1-3H3
InChIKeyMFOOFSDSHKQUFD-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds2

About 1-ethyl-1-propan-2-ylcyclopropane

1-ethyl-1-propan-2-ylcyclopropane (PubChem CID 22977902) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 1-ethyl-1-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-ethyl-1-propan-2-ylcyclopropane
PubChem CID22977902
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name1-ethyl-1-propan-2-ylcyclopropane
SMILESCCC1(C(C)C)CC1
InChIInChI=1S/C8H16/c1-4-8(5-6-8)7(2)3/h7H,4-6H2,1-3H3
InChIKeyMFOOFSDSHKQUFD-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,3-Trimethylpentane
CID 11215
2,2,3-Trimethylpentane
CID 11255
2,2,3-Trimethylhexane
CID 28021
2,3,3-Trimethylhexane
CID 28023
2,2,3,4-Tetramethylpentane
CID 14462
1,1,2-Trimethylcyclopropane
CID 138125
3,3,4-Trimethylhexane
CID 28025
Pentane, 3-ethyl-2,3-dimethyl-
CID 28027
3-Ethyl-2,2-dimethylpentane
CID 28026
Pentane, 2,3,3,4-tetramethyl-
CID 28028
2,2,3,3-Tetramethylpentane
CID 92723
Tri-t-butylmethane
CID 142023

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-propan-2-ylcyclopropane?
The IUPAC name of 1-ethyl-1-propan-2-ylcyclopropane (CID 22977902) is 1-ethyl-1-propan-2-ylcyclopropane.
What is the SMILES notation for 1-ethyl-1-propan-2-ylcyclopropane?
The canonical SMILES for 1-ethyl-1-propan-2-ylcyclopropane is CCC1(C(C)C)CC1.
What is the InChIKey of 1-ethyl-1-propan-2-ylcyclopropane?
The InChIKey is MFOOFSDSHKQUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-4-8(5-6-8)7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-1-propan-2-ylcyclopropane?
1-ethyl-1-propan-2-ylcyclopropane has a molecular weight of 112.22 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-propan-2-ylcyclopropane is sourced from PubChem (CID 22977902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).