1-methoxy-2-methylbuta-1,3-diene

C6H10O — CID 54143259

IUPAC1-methoxy-2-methylbuta-1,3-diene
SMILESC=CC(C)=COC
InChIInChI=1S/C6H10O/c1-4-6(2)5-7-3/h4-5H,1H2,2-3H3
InChIKeyOCOMLLBTVKVLIO-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.72
Rot. Bonds2

About 1-methoxy-2-methylbuta-1,3-diene

1-methoxy-2-methylbuta-1,3-diene (PubChem CID 54143259) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 1-methoxy-2-methylbuta-1,3-diene.

Molecular Properties

Compound Name1-methoxy-2-methylbuta-1,3-diene
PubChem CID54143259
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name1-methoxy-2-methylbuta-1,3-diene
SMILESC=CC(C)=COC
InChIInChI=1S/C6H10O/c1-4-6(2)5-7-3/h4-5H,1H2,2-3H3
InChIKeyOCOMLLBTVKVLIO-UHFFFAOYSA-N
XLogP1.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(1Z)-2-methylbuta-1,3-dienoxy]silane
CID 18541573
(3E)-3-(methoxymethylidene)pent-4-en-2-one
CID 71507795
1-methoxy-2-methylprop-1-ene
CID 551188
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
1-methoxy-2-methylprop-1-ene;hydrofluoride
CID 174504436
3-methyl-4-(2-methylbuta-1,3-dienoxy)but-3-en-1-ol
CID 173182536
2-methylbuta-1,3-dienyl 2-hydroxypropanoate
CID 174994759
[(1E)-2-methylbuta-1,3-dienyl]phosphane
CID 118945946
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(E)-1-methoxyprop-1-en-2-amine
CID 143063375
2-methylbuta-1,3-dienyl-λ2-plumbane
CID 173091187
[(1E)-1-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane
CID 12051225

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylbuta-1,3-diene?
The IUPAC name of 1-methoxy-2-methylbuta-1,3-diene (CID 54143259) is 1-methoxy-2-methylbuta-1,3-diene.
What is the SMILES notation for 1-methoxy-2-methylbuta-1,3-diene?
The canonical SMILES for 1-methoxy-2-methylbuta-1,3-diene is C=CC(C)=COC.
What is the InChIKey of 1-methoxy-2-methylbuta-1,3-diene?
The InChIKey is OCOMLLBTVKVLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-4-6(2)5-7-3/h4-5H,1H2,2-3H3.
What are the key properties of 1-methoxy-2-methylbuta-1,3-diene?
1-methoxy-2-methylbuta-1,3-diene has a molecular weight of 98.14 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylbuta-1,3-diene is sourced from PubChem (CID 54143259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).