propan-2-ylcyclopentane

C8H16 — CID 19751

IUPACpropan-2-ylcyclopentane
SMILESCC(C)C1CCCC1
InChIInChI=1S/C8H16/c1-7(2)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyTVSBRLGQVHJIKT-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds1

About propan-2-ylcyclopentane

propan-2-ylcyclopentane (PubChem CID 19751) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is propan-2-ylcyclopentane.

Molecular Properties

Compound Namepropan-2-ylcyclopentane
PubChem CID19751
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Namepropan-2-ylcyclopentane
SMILESCC(C)C1CCCC1
InChIInChI=1S/C8H16/c1-7(2)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3
InChIKeyTVSBRLGQVHJIKT-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 propan-2-ylcyclopentane?
The IUPAC name of propan-2-ylcyclopentane (CID 19751) is propan-2-ylcyclopentane.
What is the SMILES notation for propan-2-ylcyclopentane?
The canonical SMILES for propan-2-ylcyclopentane is CC(C)C1CCCC1.
What is the InChIKey of propan-2-ylcyclopentane?
The InChIKey is TVSBRLGQVHJIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-7(2)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of propan-2-ylcyclopentane?
propan-2-ylcyclopentane has a molecular weight of 112.22 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylcyclopentane is sourced from PubChem (CID 19751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).