2-(2-methoxyethoxy)-3-methylbuta-1,3-diene

C8H14O2 — CID 121481707

IUPAC2-(2-methoxyethoxy)-3-methylbuta-1,3-diene
SMILESC=C(C)C(=C)OCCOC
InChIInChI=1S/C8H14O2/c1-7(2)8(3)10-6-5-9-4/h1,3,5-6H2,2,4H3
InChIKeyGCDLJSQOVRIUIG-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.74
Rot. Bonds5

About 2-(2-methoxyethoxy)-3-methylbuta-1,3-diene

2-(2-methoxyethoxy)-3-methylbuta-1,3-diene (PubChem CID 121481707) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-3-methylbuta-1,3-diene.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-3-methylbuta-1,3-diene
PubChem CID121481707
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(2-methoxyethoxy)-3-methylbuta-1,3-diene
SMILESC=C(C)C(=C)OCCOC
InChIInChI=1S/C8H14O2/c1-7(2)8(3)10-6-5-9-4/h1,3,5-6H2,2,4H3
InChIKeyGCDLJSQOVRIUIG-UHFFFAOYSA-N
XLogP1.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Butadiene, 2,3-diethoxy-
CID 143272
2-Ethoxy-3-methylbuta-1,3-diene
CID 21224697
2,2,6-Trimethyl-3-methylidene-1,4-dioxine
CID 134932021
2,3-Diethoxybut-1-ene
CID 12203753
4-Ethoxy-3-methoxypenta-1,2-diene
CID 44719795
3-Methoxy-2-(3-methoxybut-1-en-2-yloxy)but-1-ene
CID 18619065
1-(3-Methylbuta-1,3-dien-2-yloxy)hexa-2,4-diyne
CID 18717190
2-Ethoxy-3-methylidenepent-1-ene
CID 19689735
2-Methyl-3-[2-(3-methylbuta-1,3-dien-2-yloxy)ethoxy]buta-1,3-diene
CID 57738780
2-(3-Methylbuta-1,3-dien-2-yloxy)ethanol
CID 58862969
2-(2,3-Dimethoxypropoxy)-3-methylbuta-1,3-diene
CID 59816976
2-Butoxy-3-methylbuta-1,3-diene
CID 60083087

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-3-methylbuta-1,3-diene?
The IUPAC name of 2-(2-methoxyethoxy)-3-methylbuta-1,3-diene (CID 121481707) is 2-(2-methoxyethoxy)-3-methylbuta-1,3-diene.
What is the SMILES notation for 2-(2-methoxyethoxy)-3-methylbuta-1,3-diene?
The canonical SMILES for 2-(2-methoxyethoxy)-3-methylbuta-1,3-diene is C=C(C)C(=C)OCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)-3-methylbuta-1,3-diene?
The InChIKey is GCDLJSQOVRIUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(2)8(3)10-6-5-9-4/h1,3,5-6H2,2,4H3.
What are the key properties of 2-(2-methoxyethoxy)-3-methylbuta-1,3-diene?
2-(2-methoxyethoxy)-3-methylbuta-1,3-diene has a molecular weight of 142.20 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-3-methylbuta-1,3-diene is sourced from PubChem (CID 121481707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).