2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene

C14H26O3 — CID 122509332

IUPAC2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene
SMILESC=C(C)CCOCCOCCOCCC(=C)C
InChIInChI=1S/C14H26O3/c1-13(2)5-7-15-9-11-17-12-10-16-8-6-14(3)4/h1,3,5-12H2,2,4H3
InChIKeyTULLSEYQPUIPIY-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.97
Rot. Bonds12

About 2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene

2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene (PubChem CID 122509332) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene.

Molecular Properties

Compound Name2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene
PubChem CID122509332
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene
SMILESC=C(C)CCOCCOCCOCCC(=C)C
InChIInChI=1S/C14H26O3/c1-13(2)5-7-15-9-11-17-12-10-16-8-6-14(3)4/h1,3,5-12H2,2,4H3
InChIKeyTULLSEYQPUIPIY-UHFFFAOYSA-N
XLogP2.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Isopentenyl ether
CID 22034429
4-(2-Methoxyethoxy)-2-methylbut-1-ene
CID 140056123
5-(2-Ethoxyethoxy)-3-methylpent-2-ene
CID 178416893
2-Methyl-4-propoxybut-1-ene
CID 10749205
4-Butoxy-2-methylbut-1-ene
CID 12422923
1-(2-But-3-enoxyethoxy)butane
CID 18985127
3-(2-Butoxyethoxymethylidene)pentane
CID 22234796
(E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene
CID 22234804
3-(2-Ethoxyethoxymethylidene)pentane
CID 22234834
4-(2-Ethoxyethoxy)-2-methylbut-1-en-1-one
CID 57107991
2-Methyl-4-[2-(3-methylbut-3-enoxy)ethoxy]but-1-ene
CID 59336379
1-(2-Ethoxyethoxy)-2-methylbut-1-ene
CID 73877097

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene?
The IUPAC name of 2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene (CID 122509332) is 2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene.
What is the SMILES notation for 2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene?
The canonical SMILES for 2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene is C=C(C)CCOCCOCCOCCC(=C)C.
What is the InChIKey of 2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene?
The InChIKey is TULLSEYQPUIPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-13(2)5-7-15-9-11-17-12-10-16-8-6-14(3)4/h1,3,5-12H2,2,4H3.
What are the key properties of 2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene?
2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene has a molecular weight of 242.36 g/mol, XLogP of 2.97, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[2-(3-methylbut-3-enoxy)ethoxy]ethoxy]but-1-ene is sourced from PubChem (CID 122509332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).