1,2-dimethoxy-4-prop-2-enoxybutane

C9H18O3 — CID 18740062

IUPAC1,2-dimethoxy-4-prop-2-enoxybutane
SMILESC=CCOCCC(COC)OC
InChIInChI=1S/C9H18O3/c1-4-6-12-7-5-9(11-3)8-10-2/h4,9H,1,5-8H2,2-3H3
InChIKeySJVPMLHHXLTKIS-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.24
Rot. Bonds8

About 1,2-dimethoxy-4-prop-2-enoxybutane

1,2-dimethoxy-4-prop-2-enoxybutane (PubChem CID 18740062) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1,2-dimethoxy-4-prop-2-enoxybutane.

Molecular Properties

Compound Name1,2-dimethoxy-4-prop-2-enoxybutane
PubChem CID18740062
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1,2-dimethoxy-4-prop-2-enoxybutane
SMILESC=CCOCCC(COC)OC
InChIInChI=1S/C9H18O3/c1-4-6-12-7-5-9(11-3)8-10-2/h4,9H,1,5-8H2,2-3H3
InChIKeySJVPMLHHXLTKIS-UHFFFAOYSA-N
XLogP1.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3',3''-(1,2,3-Propanetriyltris(oxy))trispropene
CID 75719
2-(Allyloxymethyl)-18-crown 6-Ether
CID 13070592
1-Propene, 3-(2-(2-methoxypropoxy)propoxy)-
CID 107063
1-Propene, 3-(2-(2-methoxyethoxy)ethoxy)-
CID 547704
Butane, 1-[2-(2-propen-1-yloxy)ethoxy]-
CID 87828
1-Butoxy-3-[(prop-2-en-1-yl)oxy]propan-2-ol
CID 13805865
4-[(Allyloxy)ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11816293
3-[2-(2-Ethoxyethoxy) ethoxy]-propene-1
CID 54364351
1,3-Bis-(allyloxy)-butane
CID 57126273
Bis-(2-allyloxy-propyl) ether
CID 129659935
1-(Fluoromethoxy)-2,3-bis(prop-2-enoxy)propane
CID 89441113
2-(Fluoromethoxy)-1-prop-2-enoxybutane
CID 172079289

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-prop-2-enoxybutane?
The IUPAC name of 1,2-dimethoxy-4-prop-2-enoxybutane (CID 18740062) is 1,2-dimethoxy-4-prop-2-enoxybutane.
What is the SMILES notation for 1,2-dimethoxy-4-prop-2-enoxybutane?
The canonical SMILES for 1,2-dimethoxy-4-prop-2-enoxybutane is C=CCOCCC(COC)OC.
What is the InChIKey of 1,2-dimethoxy-4-prop-2-enoxybutane?
The InChIKey is SJVPMLHHXLTKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-6-12-7-5-9(11-3)8-10-2/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 1,2-dimethoxy-4-prop-2-enoxybutane?
1,2-dimethoxy-4-prop-2-enoxybutane has a molecular weight of 174.24 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-prop-2-enoxybutane is sourced from PubChem (CID 18740062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).