pentan-3-ylcyclopropane

C8H16 — CID 19042038

IUPACpentan-3-ylcyclopropane
SMILESCCC(CC)C1CC1
InChIInChI=1S/C8H16/c1-3-7(4-2)8-5-6-8/h7-8H,3-6H2,1-2H3
InChIKeyIHAKTQBKPPJHSV-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds3

About pentan-3-ylcyclopropane

pentan-3-ylcyclopropane (PubChem CID 19042038) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is pentan-3-ylcyclopropane.

Molecular Properties

Compound Namepentan-3-ylcyclopropane
PubChem CID19042038
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Namepentan-3-ylcyclopropane
SMILESCCC(CC)C1CC1
InChIInChI=1S/C8H16/c1-3-7(4-2)8-5-6-8/h7-8H,3-6H2,1-2H3
InChIKeyIHAKTQBKPPJHSV-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of pentan-3-ylcyclopropane?
The IUPAC name of pentan-3-ylcyclopropane (CID 19042038) is pentan-3-ylcyclopropane.
What is the SMILES notation for pentan-3-ylcyclopropane?
The canonical SMILES for pentan-3-ylcyclopropane is CCC(CC)C1CC1.
What is the InChIKey of pentan-3-ylcyclopropane?
The InChIKey is IHAKTQBKPPJHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-3-7(4-2)8-5-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of pentan-3-ylcyclopropane?
pentan-3-ylcyclopropane has a molecular weight of 112.22 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-ylcyclopropane is sourced from PubChem (CID 19042038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).