ethoxymethylcyclooctane

C11H22O — CID 70370569

IUPACethoxymethylcyclooctane
SMILESCCOCC1CCCCCCC1
InChIInChI=1S/C11H22O/c1-2-12-10-11-8-6-4-3-5-7-9-11/h11H,2-10H2,1H3
InChIKeySMFQZNZUFMHMAR-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds3

About ethoxymethylcyclooctane

ethoxymethylcyclooctane (PubChem CID 70370569) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is ethoxymethylcyclooctane.

Molecular Properties

Compound Nameethoxymethylcyclooctane
PubChem CID70370569
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Nameethoxymethylcyclooctane
SMILESCCOCC1CCCCCCC1
InChIInChI=1S/C11H22O/c1-2-12-10-11-8-6-4-3-5-7-9-11/h11H,2-10H2,1H3
InChIKeySMFQZNZUFMHMAR-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethoxymethylcyclooctane?
The IUPAC name of ethoxymethylcyclooctane (CID 70370569) is ethoxymethylcyclooctane.
What is the SMILES notation for ethoxymethylcyclooctane?
The canonical SMILES for ethoxymethylcyclooctane is CCOCC1CCCCCCC1.
What is the InChIKey of ethoxymethylcyclooctane?
The InChIKey is SMFQZNZUFMHMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-2-12-10-11-8-6-4-3-5-7-9-11/h11H,2-10H2,1H3.
What are the key properties of ethoxymethylcyclooctane?
ethoxymethylcyclooctane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethylcyclooctane is sourced from PubChem (CID 70370569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).