1-methoxybuta-1,2-diene

C5H8O — CID 57109763

IUPAC1-methoxybuta-1,2-diene
SMILESCC=C=COC
InChIInChI=1S/C5H8O/c1-3-4-5-6-2/h3,5H,1-2H3
InChIKeyNMVZYNYULBGMRI-UHFFFAOYSA-N
MW84.12 g/mol
LogP1.32
Rot. Bonds1

About 1-methoxybuta-1,2-diene

1-methoxybuta-1,2-diene (PubChem CID 57109763) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is 1-methoxybuta-1,2-diene.

Molecular Properties

Compound Name1-methoxybuta-1,2-diene
PubChem CID57109763
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name1-methoxybuta-1,2-diene
SMILESCC=C=COC
InChIInChI=1S/C5H8O/c1-3-4-5-6-2/h3,5H,1-2H3
InChIKeyNMVZYNYULBGMRI-UHFFFAOYSA-N
XLogP1.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxypropa-1,2-diene
CID 139403
Propyl vinyl ether
CID 69815
Propenyl ethyl ether
CID 5365091
Ethyl 1-propenyl ether
CID 13570
1-Propene, 1-methoxy-
CID 111290
1-Methoxy-1-propene
CID 637914
Ethyl propenyl ether
CID 5354319
Propenyl ether
CID 5362775
1-Propene, 1-methoxy-, (1Z)-
CID 643770
(E)-1-Propenylvinylether
CID 5463053
Ether,1-propenyl propyl
CID 5365240
1-((Prop-1-en-1-yl)oxy)prop-1-ene
CID 138323

Frequently Asked Questions

What is the IUPAC name of 1-methoxybuta-1,2-diene?
The IUPAC name of 1-methoxybuta-1,2-diene (CID 57109763) is 1-methoxybuta-1,2-diene.
What is the SMILES notation for 1-methoxybuta-1,2-diene?
The canonical SMILES for 1-methoxybuta-1,2-diene is CC=C=COC.
What is the InChIKey of 1-methoxybuta-1,2-diene?
The InChIKey is NMVZYNYULBGMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O/c1-3-4-5-6-2/h3,5H,1-2H3.
What are the key properties of 1-methoxybuta-1,2-diene?
1-methoxybuta-1,2-diene has a molecular weight of 84.12 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybuta-1,2-diene is sourced from PubChem (CID 57109763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).