2-methylprop-2-enylcyclopentane

C9H16 — CID 548977

IUPAC2-methylprop-2-enylcyclopentane
SMILESC=C(C)CC1CCCC1
InChIInChI=1S/C9H16/c1-8(2)7-9-5-3-4-6-9/h9H,1,3-7H2,2H3
InChIKeyAYPUQHOHNKLMOW-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds2

About 2-methylprop-2-enylcyclopentane

2-methylprop-2-enylcyclopentane (PubChem CID 548977) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 2-methylprop-2-enylcyclopentane.

Molecular Properties

Compound Name2-methylprop-2-enylcyclopentane
PubChem CID548977
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name2-methylprop-2-enylcyclopentane
SMILESC=C(C)CC1CCCC1
InChIInChI=1S/C9H16/c1-8(2)7-9-5-3-4-6-9/h9H,1,3-7H2,2H3
InChIKeyAYPUQHOHNKLMOW-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enylcyclopentane?
The IUPAC name of 2-methylprop-2-enylcyclopentane (CID 548977) is 2-methylprop-2-enylcyclopentane.
What is the SMILES notation for 2-methylprop-2-enylcyclopentane?
The canonical SMILES for 2-methylprop-2-enylcyclopentane is C=C(C)CC1CCCC1.
What is the InChIKey of 2-methylprop-2-enylcyclopentane?
The InChIKey is AYPUQHOHNKLMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-8(2)7-9-5-3-4-6-9/h9H,1,3-7H2,2H3.
What are the key properties of 2-methylprop-2-enylcyclopentane?
2-methylprop-2-enylcyclopentane has a molecular weight of 124.23 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enylcyclopentane is sourced from PubChem (CID 548977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).