1-(4-ethenoxybutoxy)-3-ethoxybutane

C12H24O3 — CID 146579743

IUPAC1-(4-ethenoxybutoxy)-3-ethoxybutane
SMILESC=COCCCCOCCC(C)OCC
InChIInChI=1S/C12H24O3/c1-4-13-9-6-7-10-14-11-8-12(3)15-5-2/h4,12H,1,5-11H2,2-3H3
InChIKeyGHGZJCSLILLAAF-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.76
Rot. Bonds11

About 1-(4-ethenoxybutoxy)-3-ethoxybutane

1-(4-ethenoxybutoxy)-3-ethoxybutane (PubChem CID 146579743) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(4-ethenoxybutoxy)-3-ethoxybutane.

Molecular Properties

Compound Name1-(4-ethenoxybutoxy)-3-ethoxybutane
PubChem CID146579743
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name1-(4-ethenoxybutoxy)-3-ethoxybutane
SMILESC=COCCCCOCCC(C)OCC
InChIInChI=1S/C12H24O3/c1-4-13-9-6-7-10-14-11-8-12(3)15-5-2/h4,12H,1,5-11H2,2-3H3
InChIKeyGHGZJCSLILLAAF-UHFFFAOYSA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-1-propoxybutane
CID 89015567
1-(3-dodecoxybutoxy)dodecane
CID 173358855
2-[2-[1-[2-(4-ethenoxybutoxy)ethoxy]propan-2-yloxy]ethoxy]ethanol
CID 118634410
1,4-bis(ethenoxy)butane;butane
CID 158192522
3-prop-2-enoxy-1-propoxybutane
CID 173418975
1-ethenoxy-4-methylpentane
CID 22665202
1-(2-ethenoxyethoxy)dodecane
CID 59950400
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]decane
CID 151662960
1-[2-(2-ethenoxy-1-ethoxyethoxy)ethoxy]octane
CID 154103874
1,9-bis(ethenoxy)nonane
CID 21044784
1,16-bis(ethenoxy)hexadecane
CID 19877850
3-(4-ethenoxybutoxymethyl)heptane
CID 139971607

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenoxybutoxy)-3-ethoxybutane?
The IUPAC name of 1-(4-ethenoxybutoxy)-3-ethoxybutane (CID 146579743) is 1-(4-ethenoxybutoxy)-3-ethoxybutane.
What is the SMILES notation for 1-(4-ethenoxybutoxy)-3-ethoxybutane?
The canonical SMILES for 1-(4-ethenoxybutoxy)-3-ethoxybutane is C=COCCCCOCCC(C)OCC.
What is the InChIKey of 1-(4-ethenoxybutoxy)-3-ethoxybutane?
The InChIKey is GHGZJCSLILLAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-4-13-9-6-7-10-14-11-8-12(3)15-5-2/h4,12H,1,5-11H2,2-3H3.
What are the key properties of 1-(4-ethenoxybutoxy)-3-ethoxybutane?
1-(4-ethenoxybutoxy)-3-ethoxybutane has a molecular weight of 216.32 g/mol, XLogP of 2.76, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenoxybutoxy)-3-ethoxybutane is sourced from PubChem (CID 146579743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).