methoxymethane;2-methylbuta-1,3-diene

C7H14O — CID 159763877

IUPACmethoxymethane;2-methylbuta-1,3-diene
SMILESC=CC(=C)C.COC
InChIInChI=1S/C5H8.C2H6O/c1-4-5(2)3;1-3-2/h4H,1-2H2,3H3;1-2H3
InChIKeyNFGBHZVAAHKFCH-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.01
Rot. Bonds1

About methoxymethane;2-methylbuta-1,3-diene

methoxymethane;2-methylbuta-1,3-diene (PubChem CID 159763877) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is methoxymethane;2-methylbuta-1,3-diene.

Molecular Properties

Compound Namemethoxymethane;2-methylbuta-1,3-diene
PubChem CID159763877
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Namemethoxymethane;2-methylbuta-1,3-diene
SMILESC=CC(=C)C.COC
InChIInChI=1S/C5H8.C2H6O/c1-4-5(2)3;1-3-2/h4H,1-2H2,3H3;1-2H3
InChIKeyNFGBHZVAAHKFCH-UHFFFAOYSA-N
XLogP2.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(buta-1,3-diene);2-methylbuta-1,3-diene
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acetic acid;2-methylbuta-1,3-diene
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buta-1,3-diene;2,3-dimethylbuta-1,3-diene;2-methylbuta-1,3-diene
CID 163756056
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene
CID 142535063
2-methylbuta-1,3-diene;penta-1,4-diene
CID 22568286
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene
CID 144585247
2-methylbuta-1,3-diene;pyrazine
CID 175573056
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CID 18795140

Frequently Asked Questions

What is the IUPAC name of methoxymethane;2-methylbuta-1,3-diene?
The IUPAC name of methoxymethane;2-methylbuta-1,3-diene (CID 159763877) is methoxymethane;2-methylbuta-1,3-diene.
What is the SMILES notation for methoxymethane;2-methylbuta-1,3-diene?
The canonical SMILES for methoxymethane;2-methylbuta-1,3-diene is C=CC(=C)C.COC.
What is the InChIKey of methoxymethane;2-methylbuta-1,3-diene?
The InChIKey is NFGBHZVAAHKFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.C2H6O/c1-4-5(2)3;1-3-2/h4H,1-2H2,3H3;1-2H3.
What are the key properties of methoxymethane;2-methylbuta-1,3-diene?
methoxymethane;2-methylbuta-1,3-diene has a molecular weight of 114.19 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;2-methylbuta-1,3-diene is sourced from PubChem (CID 159763877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).