1-(ethenoxymethyl)-3-methoxycyclohexane

C10H18O2 — CID 89007644

IUPAC1-(ethenoxymethyl)-3-methoxycyclohexane
SMILESC=COCC1CCCC(OC)C1
InChIInChI=1S/C10H18O2/c1-3-12-8-9-5-4-6-10(7-9)11-2/h3,9-10H,1,4-8H2,2H3
InChIKeyJONQNSKFFWSEAP-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds4

About 1-(ethenoxymethyl)-3-methoxycyclohexane

1-(ethenoxymethyl)-3-methoxycyclohexane (PubChem CID 89007644) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-3-methoxycyclohexane.

Molecular Properties

Compound Name1-(ethenoxymethyl)-3-methoxycyclohexane
PubChem CID89007644
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(ethenoxymethyl)-3-methoxycyclohexane
SMILESC=COCC1CCCC(OC)C1
InChIInChI=1S/C10H18O2/c1-3-12-8-9-5-4-6-10(7-9)11-2/h3,9-10H,1,4-8H2,2H3
InChIKeyJONQNSKFFWSEAP-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethyl)-3-methoxycyclohexane?
The IUPAC name of 1-(ethenoxymethyl)-3-methoxycyclohexane (CID 89007644) is 1-(ethenoxymethyl)-3-methoxycyclohexane.
What is the SMILES notation for 1-(ethenoxymethyl)-3-methoxycyclohexane?
The canonical SMILES for 1-(ethenoxymethyl)-3-methoxycyclohexane is C=COCC1CCCC(OC)C1.
What is the InChIKey of 1-(ethenoxymethyl)-3-methoxycyclohexane?
The InChIKey is JONQNSKFFWSEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-12-8-9-5-4-6-10(7-9)11-2/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 1-(ethenoxymethyl)-3-methoxycyclohexane?
1-(ethenoxymethyl)-3-methoxycyclohexane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-3-methoxycyclohexane is sourced from PubChem (CID 89007644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).