2,4,4-trimethylpentan-2-ylcyclopentane

C13H26 — CID 90828490

IUPAC2,4,4-trimethylpentan-2-ylcyclopentane
SMILESCC(C)(C)CC(C)(C)C1CCCC1
InChIInChI=1S/C13H26/c1-12(2,3)10-13(4,5)11-8-6-7-9-11/h11H,6-10H2,1-5H3
InChIKeyHUZAJBPJRNDDQU-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds2

About 2,4,4-trimethylpentan-2-ylcyclopentane

2,4,4-trimethylpentan-2-ylcyclopentane (PubChem CID 90828490) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2,4,4-trimethylpentan-2-ylcyclopentane.

Molecular Properties

Compound Name2,4,4-trimethylpentan-2-ylcyclopentane
PubChem CID90828490
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2,4,4-trimethylpentan-2-ylcyclopentane
SMILESCC(C)(C)CC(C)(C)C1CCCC1
InChIInChI=1S/C13H26/c1-12(2,3)10-13(4,5)11-8-6-7-9-11/h11H,6-10H2,1-5H3
InChIKeyHUZAJBPJRNDDQU-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylpentan-2-ylcyclopentane?
The IUPAC name of 2,4,4-trimethylpentan-2-ylcyclopentane (CID 90828490) is 2,4,4-trimethylpentan-2-ylcyclopentane.
What is the SMILES notation for 2,4,4-trimethylpentan-2-ylcyclopentane?
The canonical SMILES for 2,4,4-trimethylpentan-2-ylcyclopentane is CC(C)(C)CC(C)(C)C1CCCC1.
What is the InChIKey of 2,4,4-trimethylpentan-2-ylcyclopentane?
The InChIKey is HUZAJBPJRNDDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-12(2,3)10-13(4,5)11-8-6-7-9-11/h11H,6-10H2,1-5H3.
What are the key properties of 2,4,4-trimethylpentan-2-ylcyclopentane?
2,4,4-trimethylpentan-2-ylcyclopentane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylpentan-2-ylcyclopentane is sourced from PubChem (CID 90828490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).