but-2-ene;ethanol;2-ethoxybutane

C12H28O2 — CID 173137452

IUPACbut-2-ene;ethanol;2-ethoxybutane
SMILESCC=CC.CCO.CCOC(C)CC
InChIInChI=1S/C6H14O.C4H8.C2H6O/c1-4-6(3)7-5-2;1-3-4-2;1-2-3/h6H,4-5H2,1-3H3;3-4H,1-2H3;3H,2H2,1H3
InChIKeyUTSKJQSZMCQVKD-UHFFFAOYSA-N
MW204.35 g/mol
LogP3.40
Rot. Bonds3

About but-2-ene;ethanol;2-ethoxybutane

but-2-ene;ethanol;2-ethoxybutane (PubChem CID 173137452) has the molecular formula C12H28O2 and a molecular weight of 204.35 g/mol. Its IUPAC name is but-2-ene;ethanol;2-ethoxybutane.

Molecular Properties

Compound Namebut-2-ene;ethanol;2-ethoxybutane
PubChem CID173137452
Molecular FormulaC12H28O2
Molecular Weight204.35 g/mol
Exact Mass204.21
IUPAC Namebut-2-ene;ethanol;2-ethoxybutane
SMILESCC=CC.CCO.CCOC(C)CC
InChIInChI=1S/C6H14O.C4H8.C2H6O/c1-4-6(3)7-5-2;1-3-4-2;1-2-3/h6H,4-5H2,1-3H3;3-4H,1-2H3;3H,2H2,1H3
InChIKeyUTSKJQSZMCQVKD-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butan-2-yloxybutane;ethanol
CID 88614162
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
butan-2-ol;but-2-ene
CID 157060914
3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
2-[(E)-prop-1-enoxy]butane
CID 22498076
1,3-di(butan-2-yloxy)propan-2-ol
CID 22072723
3-butan-2-yloxy-2-ethoxypropanoic acid
CID 63074689
butan-2-ol;butan-2-yl acetate;(E)-but-2-ene
CID 167575507
2-amino-3-butan-2-yloxypropan-1-ol
CID 64808148
7-butan-2-yloxyheptan-1-ol
CID 90727194
4-ethoxypent-1-ene
CID 12776575
2-but-2-en-2-yloxybutane
CID 54492212

Frequently Asked Questions

What is the IUPAC name of but-2-ene;ethanol;2-ethoxybutane?
The IUPAC name of but-2-ene;ethanol;2-ethoxybutane (CID 173137452) is but-2-ene;ethanol;2-ethoxybutane.
What is the SMILES notation for but-2-ene;ethanol;2-ethoxybutane?
The canonical SMILES for but-2-ene;ethanol;2-ethoxybutane is CC=CC.CCO.CCOC(C)CC.
What is the InChIKey of but-2-ene;ethanol;2-ethoxybutane?
The InChIKey is UTSKJQSZMCQVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C4H8.C2H6O/c1-4-6(3)7-5-2;1-3-4-2;1-2-3/h6H,4-5H2,1-3H3;3-4H,1-2H3;3H,2H2,1H3.
What are the key properties of but-2-ene;ethanol;2-ethoxybutane?
but-2-ene;ethanol;2-ethoxybutane has a molecular weight of 204.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;ethanol;2-ethoxybutane is sourced from PubChem (CID 173137452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).