1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane

C12H20O3 — CID 141079274

IUPAC1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane
SMILESC=COCC1(OC=C)CCCCC1OC
InChIInChI=1S/C12H20O3/c1-4-14-10-12(15-5-2)9-7-6-8-11(12)13-3/h4-5,11H,1-2,6-10H2,3H3
InChIKeyQALDUAMRYRNBPS-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.63
Rot. Bonds6

About 1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane

1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane (PubChem CID 141079274) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane.

Molecular Properties

Compound Name1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane
PubChem CID141079274
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane
SMILESC=COCC1(OC=C)CCCCC1OC
InChIInChI=1S/C12H20O3/c1-4-14-10-12(15-5-2)9-7-6-8-11(12)13-3/h4-5,11H,1-2,6-10H2,3H3
InChIKeyQALDUAMRYRNBPS-UHFFFAOYSA-N
XLogP2.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-1-(ethenoxymethyl)-2-methoxycyclohexane?
The IUPAC name of 1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane (CID 141079274) is 1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane.
What is the SMILES notation for 1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane?
The canonical SMILES for 1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane is C=COCC1(OC=C)CCCCC1OC.
What is the InChIKey of 1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane?
The InChIKey is QALDUAMRYRNBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-14-10-12(15-5-2)9-7-6-8-11(12)13-3/h4-5,11H,1-2,6-10H2,3H3.
What are the key properties of 1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane?
1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane has a molecular weight of 212.29 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1-(ethenoxymethyl)-2-methoxycyclohexane is sourced from PubChem (CID 141079274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).