1-ethenoxy-4-ethoxycyclohexane

C10H18O2 — CID 87407943

IUPAC1-ethenoxy-4-ethoxycyclohexane
SMILESC=COC1CCC(OCC)CC1
InChIInChI=1S/C10H18O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h3,9-10H,1,4-8H2,2H3
InChIKeyKEVZAPYLVCECIO-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.49
Rot. Bonds4

About 1-ethenoxy-4-ethoxycyclohexane

1-ethenoxy-4-ethoxycyclohexane (PubChem CID 87407943) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-ethenoxy-4-ethoxycyclohexane.

Molecular Properties

Compound Name1-ethenoxy-4-ethoxycyclohexane
PubChem CID87407943
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-ethenoxy-4-ethoxycyclohexane
SMILESC=COC1CCC(OCC)CC1
InChIInChI=1S/C10H18O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h3,9-10H,1,4-8H2,2H3
InChIKeyKEVZAPYLVCECIO-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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-ethenoxy-4-ethoxycyclohexane?
The IUPAC name of 1-ethenoxy-4-ethoxycyclohexane (CID 87407943) is 1-ethenoxy-4-ethoxycyclohexane.
What is the SMILES notation for 1-ethenoxy-4-ethoxycyclohexane?
The canonical SMILES for 1-ethenoxy-4-ethoxycyclohexane is C=COC1CCC(OCC)CC1.
What is the InChIKey of 1-ethenoxy-4-ethoxycyclohexane?
The InChIKey is KEVZAPYLVCECIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 1-ethenoxy-4-ethoxycyclohexane?
1-ethenoxy-4-ethoxycyclohexane has a molecular weight of 170.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-4-ethoxycyclohexane is sourced from PubChem (CID 87407943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).