3-butyl-1,1,2,5-tetramethylcyclopentane

C13H26 — CID 123562487

IUPAC3-butyl-1,1,2,5-tetramethylcyclopentane
SMILESCCCCC1CC(C)C(C)(C)C1C
InChIInChI=1S/C13H26/c1-6-7-8-12-9-10(2)13(4,5)11(12)3/h10-12H,6-9H2,1-5H3
InChIKeyNMNFVYBQGJPADR-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds3

About 3-butyl-1,1,2,5-tetramethylcyclopentane

3-butyl-1,1,2,5-tetramethylcyclopentane (PubChem CID 123562487) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 3-butyl-1,1,2,5-tetramethylcyclopentane.

Molecular Properties

Compound Name3-butyl-1,1,2,5-tetramethylcyclopentane
PubChem CID123562487
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name3-butyl-1,1,2,5-tetramethylcyclopentane
SMILESCCCCC1CC(C)C(C)(C)C1C
InChIInChI=1S/C13H26/c1-6-7-8-12-9-10(2)13(4,5)11(12)3/h10-12H,6-9H2,1-5H3
InChIKeyNMNFVYBQGJPADR-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,1,2,5-tetramethylcyclopentane?
The IUPAC name of 3-butyl-1,1,2,5-tetramethylcyclopentane (CID 123562487) is 3-butyl-1,1,2,5-tetramethylcyclopentane.
What is the SMILES notation for 3-butyl-1,1,2,5-tetramethylcyclopentane?
The canonical SMILES for 3-butyl-1,1,2,5-tetramethylcyclopentane is CCCCC1CC(C)C(C)(C)C1C.
What is the InChIKey of 3-butyl-1,1,2,5-tetramethylcyclopentane?
The InChIKey is NMNFVYBQGJPADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-7-8-12-9-10(2)13(4,5)11(12)3/h10-12H,6-9H2,1-5H3.
What are the key properties of 3-butyl-1,1,2,5-tetramethylcyclopentane?
3-butyl-1,1,2,5-tetramethylcyclopentane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,1,2,5-tetramethylcyclopentane is sourced from PubChem (CID 123562487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).