ethoxycyclohexane

C8H16O — CID 559068

IUPACethoxycyclohexane
SMILESCCOC1CCCCC1
InChIInChI=1S/C8H16O/c1-2-9-8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyGJJASJCGLOUWAC-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.36
Rot. Bonds2

About ethoxycyclohexane

ethoxycyclohexane (PubChem CID 559068) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is ethoxycyclohexane.

Molecular Properties

Compound Nameethoxycyclohexane
PubChem CID559068
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Nameethoxycyclohexane
SMILESCCOC1CCCCC1
InChIInChI=1S/C8H16O/c1-2-9-8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyGJJASJCGLOUWAC-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethoxycyclohexane?
The IUPAC name of ethoxycyclohexane (CID 559068) is ethoxycyclohexane.
What is the SMILES notation for ethoxycyclohexane?
The canonical SMILES for ethoxycyclohexane is CCOC1CCCCC1.
What is the InChIKey of ethoxycyclohexane?
The InChIKey is GJJASJCGLOUWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-2-9-8-6-4-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of ethoxycyclohexane?
ethoxycyclohexane has a molecular weight of 128.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycyclohexane is sourced from PubChem (CID 559068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).