1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane

C13H22O2 — CID 139896285

IUPAC1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane
SMILESC=CCOCC1(OC=CC)CCCCC1
InChIInChI=1S/C13H22O2/c1-3-10-14-12-13(15-11-4-2)8-6-5-7-9-13/h3-4,11H,1,5-10,12H2,2H3
InChIKeyJWXNJWGMLMWCPM-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.44
Rot. Bonds6

About 1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane

1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane (PubChem CID 139896285) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane
PubChem CID139896285
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane
SMILESC=CCOCC1(OC=CC)CCCCC1
InChIInChI=1S/C13H22O2/c1-3-10-14-12-13(15-11-4-2)8-6-5-7-9-13/h3-4,11H,1,5-10,12H2,2H3
InChIKeyJWXNJWGMLMWCPM-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1s,2s)-1-Methyl-1,2-bis(prop-2-en-1-yloxy)-cyclohexane
CID 134158789
1-Ethenyl-1-(2-methoxyprop-2-enoxy)cyclohexane
CID 13618025
1-Methyl-1-prop-2-enoxycyclohexane
CID 20283471
2-Methyl-1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane
CID 139896225
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603915
1-(1-Ethoxyethenyl)-4-methyl-1-prop-2-enoxycyclohexane
CID 10867945
1-(3-Butoxyprop-1-en-2-yloxymethyl)-3-methylcyclohexane
CID 143374456

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane?
The IUPAC name of 1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane (CID 139896285) is 1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane.
What is the SMILES notation for 1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane?
The canonical SMILES for 1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane is C=CCOCC1(OC=CC)CCCCC1.
What is the InChIKey of 1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane?
The InChIKey is JWXNJWGMLMWCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-10-14-12-13(15-11-4-2)8-6-5-7-9-13/h3-4,11H,1,5-10,12H2,2H3.
What are the key properties of 1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane?
1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane has a molecular weight of 210.32 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enoxy-1-(prop-2-enoxymethyl)cyclohexane is sourced from PubChem (CID 139896285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).