2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane

C13H22O2 — CID 57304118

IUPAC2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane
SMILESC=CCOC1CCC(C=CC)CC1OC
InChIInChI=1S/C13H22O2/c1-4-6-11-7-8-12(15-9-5-2)13(10-11)14-3/h4-6,11-13H,2,7-10H2,1,3H3
InChIKeyOMIOTBBGLFZNOK-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.95
Rot. Bonds5

About 2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane

2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane (PubChem CID 57304118) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane.

Molecular Properties

Compound Name2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane
PubChem CID57304118
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane
SMILESC=CCOC1CCC(C=CC)CC1OC
InChIInChI=1S/C13H22O2/c1-4-6-11-7-8-12(15-9-5-2)13(10-11)14-3/h4-6,11-13H,2,7-10H2,1,3H3
InChIKeyOMIOTBBGLFZNOK-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane?
The IUPAC name of 2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane (CID 57304118) is 2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane.
What is the SMILES notation for 2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane?
The canonical SMILES for 2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane is C=CCOC1CCC(C=CC)CC1OC.
What is the InChIKey of 2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane?
The InChIKey is OMIOTBBGLFZNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-6-11-7-8-12(15-9-5-2)13(10-11)14-3/h4-6,11-13H,2,7-10H2,1,3H3.
What are the key properties of 2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane?
2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane has a molecular weight of 210.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-prop-2-enoxy-4-prop-1-enylcyclohexane is sourced from PubChem (CID 57304118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).