tert-butylcyclopentane

C9H18 — CID 520923

IUPACtert-butylcyclopentane
SMILESCC(C)(C)C1CCCC1
InChIInChI=1S/C9H18/c1-9(2,3)8-6-4-5-7-8/h8H,4-7H2,1-3H3
InChIKeyBFWVYBVSRYIDHI-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds

About tert-butylcyclopentane

tert-butylcyclopentane (PubChem CID 520923) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is tert-butylcyclopentane.

Molecular Properties

Compound Nametert-butylcyclopentane
PubChem CID520923
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Nametert-butylcyclopentane
SMILESCC(C)(C)C1CCCC1
InChIInChI=1S/C9H18/c1-9(2,3)8-6-4-5-7-8/h8H,4-7H2,1-3H3
InChIKeyBFWVYBVSRYIDHI-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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 tert-butylcyclopentane?
The IUPAC name of tert-butylcyclopentane (CID 520923) is tert-butylcyclopentane.
What is the SMILES notation for tert-butylcyclopentane?
The canonical SMILES for tert-butylcyclopentane is CC(C)(C)C1CCCC1.
What is the InChIKey of tert-butylcyclopentane?
The InChIKey is BFWVYBVSRYIDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-9(2,3)8-6-4-5-7-8/h8H,4-7H2,1-3H3.
What are the key properties of tert-butylcyclopentane?
tert-butylcyclopentane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclopentane is sourced from PubChem (CID 520923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).