but-2-ene;1-methoxyprop-1-ene

C8H16O — CID 91394801

IUPACbut-2-ene;1-methoxyprop-1-ene
SMILESCC=CC.CC=COC
InChIInChI=1S/C4H8O.C4H8/c1-3-4-5-2;1-3-4-2/h3-4H,1-2H3;3-4H,1-2H3
InChIKeyWYIYQXPBYAMNGE-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.75
Rot. Bonds1

About but-2-ene;1-methoxyprop-1-ene

but-2-ene;1-methoxyprop-1-ene (PubChem CID 91394801) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is but-2-ene;1-methoxyprop-1-ene.

Molecular Properties

Compound Namebut-2-ene;1-methoxyprop-1-ene
PubChem CID91394801
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Namebut-2-ene;1-methoxyprop-1-ene
SMILESCC=CC.CC=COC
InChIInChI=1S/C4H8O.C4H8/c1-3-4-5-2;1-3-4-2/h3-4H,1-2H3;3-4H,1-2H3
InChIKeyWYIYQXPBYAMNGE-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;1-methoxyprop-1-ene
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butanedioic acid;1-methoxyprop-1-ene;2-methylprop-1-ene
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1,8-dimethoxyocta-1,3,5,7-tetraene
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O-[(Z)-prop-1-enyl] methanethioate
CID 173167979
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CID 174796957
prop-1-enylmercury
CID 154078455
3-methoxyprop-2-enenitrile
CID 2723755
prop-1-enoxymethanetriol
CID 141049988
CID 161256128
CID 161256128
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CID 158027647

Frequently Asked Questions

What is the IUPAC name of but-2-ene;1-methoxyprop-1-ene?
The IUPAC name of but-2-ene;1-methoxyprop-1-ene (CID 91394801) is but-2-ene;1-methoxyprop-1-ene.
What is the SMILES notation for but-2-ene;1-methoxyprop-1-ene?
The canonical SMILES for but-2-ene;1-methoxyprop-1-ene is CC=CC.CC=COC.
What is the InChIKey of but-2-ene;1-methoxyprop-1-ene?
The InChIKey is WYIYQXPBYAMNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H8/c1-3-4-5-2;1-3-4-2/h3-4H,1-2H3;3-4H,1-2H3.
What are the key properties of but-2-ene;1-methoxyprop-1-ene?
but-2-ene;1-methoxyprop-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;1-methoxyprop-1-ene is sourced from PubChem (CID 91394801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).