butan-2-ylcyclopentane

C9H18 — CID 521236

IUPACbutan-2-ylcyclopentane
SMILESCCC(C)C1CCCC1
InChIInChI=1S/C9H18/c1-3-8(2)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyDCEHVBLXWODXCW-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds2

About butan-2-ylcyclopentane

butan-2-ylcyclopentane (PubChem CID 521236) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is butan-2-ylcyclopentane.

Molecular Properties

Compound Namebutan-2-ylcyclopentane
PubChem CID521236
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namebutan-2-ylcyclopentane
SMILESCCC(C)C1CCCC1
InChIInChI=1S/C9H18/c1-3-8(2)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyDCEHVBLXWODXCW-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 butan-2-ylcyclopentane?
The IUPAC name of butan-2-ylcyclopentane (CID 521236) is butan-2-ylcyclopentane.
What is the SMILES notation for butan-2-ylcyclopentane?
The canonical SMILES for butan-2-ylcyclopentane is CCC(C)C1CCCC1.
What is the InChIKey of butan-2-ylcyclopentane?
The InChIKey is DCEHVBLXWODXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-3-8(2)9-6-4-5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of butan-2-ylcyclopentane?
butan-2-ylcyclopentane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylcyclopentane is sourced from PubChem (CID 521236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).