propylcyclohexane

C9H18 — CID 15505

IUPACpropylcyclohexane
SMILESCCCC1CCCCC1
InChIInChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKeyDEDZSLCZHWTGOR-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.37
Rot. Bonds2

About propylcyclohexane

propylcyclohexane (PubChem CID 15505) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is propylcyclohexane.

Molecular Properties

Compound Namepropylcyclohexane
PubChem CID15505
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Namepropylcyclohexane
SMILESCCCC1CCCCC1
InChIInChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKeyDEDZSLCZHWTGOR-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of propylcyclohexane?
The IUPAC name of propylcyclohexane (CID 15505) is propylcyclohexane.
What is the SMILES notation for propylcyclohexane?
The canonical SMILES for propylcyclohexane is CCCC1CCCCC1.
What is the InChIKey of propylcyclohexane?
The InChIKey is DEDZSLCZHWTGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3.
What are the key properties of propylcyclohexane?
propylcyclohexane has a molecular weight of 126.24 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propylcyclohexane is sourced from PubChem (CID 15505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).