but-1-ene;3-methoxyprop-1-ene

C8H16O — CID 157168477

IUPACbut-1-ene;3-methoxyprop-1-ene
SMILESC=CCC.C=CCOC
InChIInChI=1S/C4H8O.C4H8/c1-3-4-5-2;1-3-4-2/h3H,1,4H2,2H3;3H,1,4H2,2H3
InChIKeyANEPSHSRTXTAFI-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.40
Rot. Bonds3

About but-1-ene;3-methoxyprop-1-ene

but-1-ene;3-methoxyprop-1-ene (PubChem CID 157168477) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is but-1-ene;3-methoxyprop-1-ene.

Molecular Properties

Compound Namebut-1-ene;3-methoxyprop-1-ene
PubChem CID157168477
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Namebut-1-ene;3-methoxyprop-1-ene
SMILESC=CCC.C=CCOC
InChIInChI=1S/C4H8O.C4H8/c1-3-4-5-2;1-3-4-2/h3H,1,4H2,2H3;3H,1,4H2,2H3
InChIKeyANEPSHSRTXTAFI-UHFFFAOYSA-N
XLogP2.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;dihydrofluoride
CID 175726295
but-1-ene;ethene
CID 19017343
ethoxy(dimethyl)silane;3-methoxyprop-1-ene
CID 175122432
but-1-ene;silyloxysilane
CID 174887933
butan-1-ol;ethane;3-methoxyprop-1-ene
CID 142059621
methoxyethane;3-methoxyprop-1-ene;methyl acetate
CID 158707708
but-1-ene;trimethoxysilane
CID 162022508
but-1-ene;methanethiol
CID 174505705
butane;bis(but-1-ene)
CID 160596310
butoxysilane;3-methoxyprop-1-ene
CID 162263519
3-methoxyprop-1-ene;oxolane
CID 175033291
CID 59896766
CID 59896766

Frequently Asked Questions

What is the IUPAC name of but-1-ene;3-methoxyprop-1-ene?
The IUPAC name of but-1-ene;3-methoxyprop-1-ene (CID 157168477) is but-1-ene;3-methoxyprop-1-ene.
What is the SMILES notation for but-1-ene;3-methoxyprop-1-ene?
The canonical SMILES for but-1-ene;3-methoxyprop-1-ene is C=CCC.C=CCOC.
What is the InChIKey of but-1-ene;3-methoxyprop-1-ene?
The InChIKey is ANEPSHSRTXTAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H8/c1-3-4-5-2;1-3-4-2/h3H,1,4H2,2H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;3-methoxyprop-1-ene?
but-1-ene;3-methoxyprop-1-ene has a molecular weight of 128.21 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;3-methoxyprop-1-ene is sourced from PubChem (CID 157168477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).