pentan-2-ylcyclohexane

C11H22 — CID 543985

IUPACpentan-2-ylcyclohexane
SMILESCCCC(C)C1CCCCC1
InChIInChI=1S/C11H22/c1-3-7-10(2)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3
InChIKeyZYJFJURMFHCWOB-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds3

About pentan-2-ylcyclohexane

pentan-2-ylcyclohexane (PubChem CID 543985) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is pentan-2-ylcyclohexane.

Molecular Properties

Compound Namepentan-2-ylcyclohexane
PubChem CID543985
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Namepentan-2-ylcyclohexane
SMILESCCCC(C)C1CCCCC1
InChIInChI=1S/C11H22/c1-3-7-10(2)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3
InChIKeyZYJFJURMFHCWOB-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentan-2-ylcyclohexane?
The IUPAC name of pentan-2-ylcyclohexane (CID 543985) is pentan-2-ylcyclohexane.
What is the SMILES notation for pentan-2-ylcyclohexane?
The canonical SMILES for pentan-2-ylcyclohexane is CCCC(C)C1CCCCC1.
What is the InChIKey of pentan-2-ylcyclohexane?
The InChIKey is ZYJFJURMFHCWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-3-7-10(2)11-8-5-4-6-9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of pentan-2-ylcyclohexane?
pentan-2-ylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-ylcyclohexane is sourced from PubChem (CID 543985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).