1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane

C16H32 — CID 123986680

IUPAC1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane
SMILESCCCC(C)C1CCC(C)C1(C)C(C)CC
InChIInChI=1S/C16H32/c1-7-9-12(3)15-11-10-14(5)16(15,6)13(4)8-2/h12-15H,7-11H2,1-6H3
InChIKeyKORZLUMDXMRRDM-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.52
Rot. Bonds5

About 1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane

1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane (PubChem CID 123986680) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane.

Molecular Properties

Compound Name1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane
PubChem CID123986680
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane
SMILESCCCC(C)C1CCC(C)C1(C)C(C)CC
InChIInChI=1S/C16H32/c1-7-9-12(3)15-11-10-14(5)16(15,6)13(4)8-2/h12-15H,7-11H2,1-6H3
InChIKeyKORZLUMDXMRRDM-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane?
The IUPAC name of 1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane (CID 123986680) is 1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane.
What is the SMILES notation for 1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane?
The canonical SMILES for 1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane is CCCC(C)C1CCC(C)C1(C)C(C)CC.
What is the InChIKey of 1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane?
The InChIKey is KORZLUMDXMRRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-7-9-12(3)15-11-10-14(5)16(15,6)13(4)8-2/h12-15H,7-11H2,1-6H3.
What are the key properties of 1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane?
1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane has a molecular weight of 224.43 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1,2-dimethyl-5-pentan-2-ylcyclopentane is sourced from PubChem (CID 123986680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).