2-(methoxymethyl)but-1-ene

C6H12O — CID 64666823

IUPAC2-(methoxymethyl)but-1-ene
SMILESC=C(CC)COC
InChIInChI=1S/C6H12O/c1-4-6(2)5-7-3/h2,4-5H2,1,3H3
InChIKeyFDXAPWDAAWIDKX-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.60
Rot. Bonds3

About 2-(methoxymethyl)but-1-ene

2-(methoxymethyl)but-1-ene (PubChem CID 64666823) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-(methoxymethyl)but-1-ene.

Molecular Properties

Compound Name2-(methoxymethyl)but-1-ene
PubChem CID64666823
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name2-(methoxymethyl)but-1-ene
SMILESC=C(CC)COC
InChIInChI=1S/C6H12O/c1-4-6(2)5-7-3/h2,4-5H2,1,3H3
InChIKeyFDXAPWDAAWIDKX-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.60
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

1-Butene, 4-methoxy-2-methyl-
CID 542352
Ether, methyl 2-methylallyl
CID 519946
Methallyl propyl ether
CID 521470
3-Ethoxy-2-methylpropene
CID 10909503
Methyl-d3 2-methyl-2-propenyl ether
CID 168489387
4,4,4-Trifluoro-2-(methoxymethyl)but-1-ene
CID 89475007
3,3,4-Trifluoro-2-(methoxymethyl)but-1-ene
CID 169045540
3-Methoxy-2-methyl-1-butene
CID 559009
3-(Methoxymethyl)hexa-1,2,5-triene
CID 11105363
3-Ethoxy-2-methylbut-1-ene
CID 12592148
2-(Methoxymethyl)pent-1-ene
CID 13707480
2-(Methoxymethyl)-3-methylbut-1-ene
CID 13707490

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)but-1-ene?
The IUPAC name of 2-(methoxymethyl)but-1-ene (CID 64666823) is 2-(methoxymethyl)but-1-ene.
What is the SMILES notation for 2-(methoxymethyl)but-1-ene?
The canonical SMILES for 2-(methoxymethyl)but-1-ene is C=C(CC)COC.
What is the InChIKey of 2-(methoxymethyl)but-1-ene?
The InChIKey is FDXAPWDAAWIDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-4-6(2)5-7-3/h2,4-5H2,1,3H3.
What are the key properties of 2-(methoxymethyl)but-1-ene?
2-(methoxymethyl)but-1-ene has a molecular weight of 100.16 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)but-1-ene is sourced from PubChem (CID 64666823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).