4-(3-methoxybutyl)-4-prop-2-enyloxane

C13H24O2 — CID 145019364

IUPAC4-(3-methoxybutyl)-4-prop-2-enyloxane
SMILESC=CCC1(CCC(C)OC)CCOCC1
InChIInChI=1S/C13H24O2/c1-4-6-13(7-5-12(2)14-3)8-10-15-11-9-13/h4,12H,1,5-11H2,2-3H3
InChIKeyQAFOFPLBNKNYDJ-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.17
Rot. Bonds6

About 4-(3-methoxybutyl)-4-prop-2-enyloxane

4-(3-methoxybutyl)-4-prop-2-enyloxane (PubChem CID 145019364) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4-(3-methoxybutyl)-4-prop-2-enyloxane.

Molecular Properties

Compound Name4-(3-methoxybutyl)-4-prop-2-enyloxane
PubChem CID145019364
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4-(3-methoxybutyl)-4-prop-2-enyloxane
SMILESC=CCC1(CCC(C)OC)CCOCC1
InChIInChI=1S/C13H24O2/c1-4-6-13(7-5-12(2)14-3)8-10-15-11-9-13/h4,12H,1,5-11H2,2-3H3
InChIKeyQAFOFPLBNKNYDJ-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enyl-3-propyloxolane
CID 68879420
4-but-3-enyl-4-propyloxane
CID 156531581
6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
CID 11298330
3-ethyl-3-prop-2-enyloxetane
CID 68640910
N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine
CID 62905014
4-ethyl-4-(2-methylpropyl)oxane
CID 58432614
1-ethyl-1-prop-2-enylcyclobutane
CID 123404506
4-ethyl-4-propyloxane
CID 142221834
ethane;4-ethyl-4-(methoxymethyl)oxane
CID 144557076
N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62905226
4-(bromomethyl)-4-(prop-2-enoxymethyl)oxane
CID 65004533
4-(bromomethyl)-4-(4-methylpentyl)oxane
CID 83168882

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxybutyl)-4-prop-2-enyloxane?
The IUPAC name of 4-(3-methoxybutyl)-4-prop-2-enyloxane (CID 145019364) is 4-(3-methoxybutyl)-4-prop-2-enyloxane.
What is the SMILES notation for 4-(3-methoxybutyl)-4-prop-2-enyloxane?
The canonical SMILES for 4-(3-methoxybutyl)-4-prop-2-enyloxane is C=CCC1(CCC(C)OC)CCOCC1.
What is the InChIKey of 4-(3-methoxybutyl)-4-prop-2-enyloxane?
The InChIKey is QAFOFPLBNKNYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-6-13(7-5-12(2)14-3)8-10-15-11-9-13/h4,12H,1,5-11H2,2-3H3.
What are the key properties of 4-(3-methoxybutyl)-4-prop-2-enyloxane?
4-(3-methoxybutyl)-4-prop-2-enyloxane has a molecular weight of 212.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxybutyl)-4-prop-2-enyloxane is sourced from PubChem (CID 145019364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).