2-ethoxybut-1-ene;2-methoxybut-1-ene

C11H22O2 — CID 139345076

IUPAC2-ethoxybut-1-ene;2-methoxybut-1-ene
SMILESC=C(CC)OC.C=C(CC)OCC
InChIInChI=1S/C6H12O.C5H10O/c1-4-6(3)7-5-2;1-4-5(2)6-3/h3-5H2,1-2H3;2,4H2,1,3H3
InChIKeyBMWWLFMAYJDWNS-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.50
Rot. Bonds5

About 2-ethoxybut-1-ene;2-methoxybut-1-ene

2-ethoxybut-1-ene;2-methoxybut-1-ene (PubChem CID 139345076) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-ethoxybut-1-ene;2-methoxybut-1-ene.

Molecular Properties

Compound Name2-ethoxybut-1-ene;2-methoxybut-1-ene
PubChem CID139345076
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-ethoxybut-1-ene;2-methoxybut-1-ene
SMILESC=C(CC)OC.C=C(CC)OCC
InChIInChI=1S/C6H12O.C5H10O/c1-4-6(3)7-5-2;1-4-5(2)6-3/h3-5H2,1-2H3;2,4H2,1,3H3
InChIKeyBMWWLFMAYJDWNS-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethoxy)but-1-ene
CID 13107534
2-propoxybut-1-ene
CID 22498061
2-ethoxyprop-2-enylstannane
CID 175872207
2-(deuteriooxymethoxy)but-1-ene
CID 88855358
2-ethoxyprop-2-enyl(trimethyl)silane
CID 13185405
1-but-1-en-2-yloxyhexane
CID 57257919
2-but-1-en-2-yloxyacetamide
CID 89101591
lithium;2-but-1-en-2-yloxybut-1-ene;hydride
CID 172995000
ethyl 2-hydroxy-4-methoxy-2-(trifluoromethyl)pent-4-enoate
CID 162536869
2-[2-(2-but-1-en-2-yloxyethoxy)ethoxy]ethanol
CID 18913851
ethyl carbamate;bis(2-methylprop-1-ene)
CID 159122273
2-(trifluoromethoxy)but-1-ene
CID 90210903

Frequently Asked Questions

What is the IUPAC name of 2-ethoxybut-1-ene;2-methoxybut-1-ene?
The IUPAC name of 2-ethoxybut-1-ene;2-methoxybut-1-ene (CID 139345076) is 2-ethoxybut-1-ene;2-methoxybut-1-ene.
What is the SMILES notation for 2-ethoxybut-1-ene;2-methoxybut-1-ene?
The canonical SMILES for 2-ethoxybut-1-ene;2-methoxybut-1-ene is C=C(CC)OC.C=C(CC)OCC.
What is the InChIKey of 2-ethoxybut-1-ene;2-methoxybut-1-ene?
The InChIKey is BMWWLFMAYJDWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H10O/c1-4-6(3)7-5-2;1-4-5(2)6-3/h3-5H2,1-2H3;2,4H2,1,3H3.
What are the key properties of 2-ethoxybut-1-ene;2-methoxybut-1-ene?
2-ethoxybut-1-ene;2-methoxybut-1-ene has a molecular weight of 186.29 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybut-1-ene;2-methoxybut-1-ene is sourced from PubChem (CID 139345076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).