1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane

C13H24O2 — CID 134255360

IUPAC1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane
SMILESC=COCC1CCC(COC(C)C)CC1
InChIInChI=1S/C13H24O2/c1-4-14-9-12-5-7-13(8-6-12)10-15-11(2)3/h4,11-13H,1,5-10H2,2-3H3
InChIKeyNSWCUBKFJKNQQB-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.38
Rot. Bonds6

About 1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane

1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane (PubChem CID 134255360) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane
PubChem CID134255360
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane
SMILESC=COCC1CCC(COC(C)C)CC1
InChIInChI=1S/C13H24O2/c1-4-14-9-12-5-7-13(8-6-12)10-15-11(2)3/h4,11-13H,1,5-10H2,2-3H3
InChIKeyNSWCUBKFJKNQQB-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.38
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)-4-(propan-2-yloxymethyl)cyclohexane?
The IUPAC name of 1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane (CID 134255360) is 1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane.
What is the SMILES notation for 1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane?
The canonical SMILES for 1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane is C=COCC1CCC(COC(C)C)CC1.
What is the InChIKey of 1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane?
The InChIKey is NSWCUBKFJKNQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-14-9-12-5-7-13(8-6-12)10-15-11(2)3/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of 1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane?
1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane has a molecular weight of 212.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane is sourced from PubChem (CID 134255360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).