2-(methoxymethoxy)but-1-ene

C6H12O2 — CID 13107534

IUPAC2-(methoxymethoxy)but-1-ene
SMILESC=C(CC)OCOC
InChIInChI=1S/C6H12O2/c1-4-6(2)8-5-7-3/h2,4-5H2,1,3H3
InChIKeyNCALCDSBVMUPEH-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.53
Rot. Bonds4

About 2-(methoxymethoxy)but-1-ene

2-(methoxymethoxy)but-1-ene (PubChem CID 13107534) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-(methoxymethoxy)but-1-ene.

Molecular Properties

Compound Name2-(methoxymethoxy)but-1-ene
PubChem CID13107534
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-(methoxymethoxy)but-1-ene
SMILESC=C(CC)OCOC
InChIInChI=1S/C6H12O2/c1-4-6(2)8-5-7-3/h2,4-5H2,1,3H3
InChIKeyNCALCDSBVMUPEH-UHFFFAOYSA-N
XLogP1.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propoxybut-1-ene
CID 22498061
2-ethoxybut-1-ene;2-methoxybut-1-ene
CID 139345076
2-(methoxymethoxy)prop-2-enyl acetate
CID 10511152
2-(methoxymethoxy)prop-2-enyl methyl carbonate
CID 10702414
2-(deuteriooxymethoxy)but-1-ene
CID 88855358
1-but-1-en-2-yloxyhexane
CID 57257919
2-but-1-en-2-yloxyacetamide
CID 89101591
lithium;2-but-1-en-2-yloxybut-1-ene;hydride
CID 172995000
2-[2-(2-but-1-en-2-yloxyethoxy)ethoxy]ethanol
CID 18913851
4-O-(methoxymethyl) 1-O-methyl 2-methylidenebutanedioate
CID 23571779
methane;methoxymethyl butanoate
CID 159855538
CID 88855401
CID 88855401

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)but-1-ene?
The IUPAC name of 2-(methoxymethoxy)but-1-ene (CID 13107534) is 2-(methoxymethoxy)but-1-ene.
What is the SMILES notation for 2-(methoxymethoxy)but-1-ene?
The canonical SMILES for 2-(methoxymethoxy)but-1-ene is C=C(CC)OCOC.
What is the InChIKey of 2-(methoxymethoxy)but-1-ene?
The InChIKey is NCALCDSBVMUPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-4-6(2)8-5-7-3/h2,4-5H2,1,3H3.
What are the key properties of 2-(methoxymethoxy)but-1-ene?
2-(methoxymethoxy)but-1-ene has a molecular weight of 116.16 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)but-1-ene is sourced from PubChem (CID 13107534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).