1-butyl-3-methylcyclopentane

C10H20 — CID 523489

IUPAC1-butyl-3-methylcyclopentane
SMILESCCCCC1CCC(C)C1
InChIInChI=1S/C10H20/c1-3-4-5-10-7-6-9(2)8-10/h9-10H,3-8H2,1-2H3
InChIKeyAZIMTRHQTPSRKY-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.61
Rot. Bonds3

About 1-butyl-3-methylcyclopentane

1-butyl-3-methylcyclopentane (PubChem CID 523489) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 1-butyl-3-methylcyclopentane.

Molecular Properties

Compound Name1-butyl-3-methylcyclopentane
PubChem CID523489
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name1-butyl-3-methylcyclopentane
SMILESCCCCC1CCC(C)C1
InChIInChI=1S/C10H20/c1-3-4-5-10-7-6-9(2)8-10/h9-10H,3-8H2,1-2H3
InChIKeyAZIMTRHQTPSRKY-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylcyclopentane?
The IUPAC name of 1-butyl-3-methylcyclopentane (CID 523489) is 1-butyl-3-methylcyclopentane.
What is the SMILES notation for 1-butyl-3-methylcyclopentane?
The canonical SMILES for 1-butyl-3-methylcyclopentane is CCCCC1CCC(C)C1.
What is the InChIKey of 1-butyl-3-methylcyclopentane?
The InChIKey is AZIMTRHQTPSRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-3-4-5-10-7-6-9(2)8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-butyl-3-methylcyclopentane?
1-butyl-3-methylcyclopentane has a molecular weight of 140.27 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylcyclopentane is sourced from PubChem (CID 523489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).