2-methoxyethylcyclohexane

C9H18O — CID 557611

IUPAC2-methoxyethylcyclohexane
SMILESCOCCC1CCCCC1
InChIInChI=1S/C9H18O/c1-10-8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeySCKZEHIXKJLFOB-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds3

About 2-methoxyethylcyclohexane

2-methoxyethylcyclohexane (PubChem CID 557611) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methoxyethylcyclohexane.

Molecular Properties

Compound Name2-methoxyethylcyclohexane
PubChem CID557611
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methoxyethylcyclohexane
SMILESCOCCC1CCCCC1
InChIInChI=1S/C9H18O/c1-10-8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeySCKZEHIXKJLFOB-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethylcyclohexane?
The IUPAC name of 2-methoxyethylcyclohexane (CID 557611) is 2-methoxyethylcyclohexane.
What is the SMILES notation for 2-methoxyethylcyclohexane?
The canonical SMILES for 2-methoxyethylcyclohexane is COCCC1CCCCC1.
What is the InChIKey of 2-methoxyethylcyclohexane?
The InChIKey is SCKZEHIXKJLFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-10-8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of 2-methoxyethylcyclohexane?
2-methoxyethylcyclohexane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethylcyclohexane is sourced from PubChem (CID 557611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).