4-(2-ethoxyethoxy)-2-methylbut-1-ene

C9H18O2 — CID 174812172

IUPAC4-(2-ethoxyethoxy)-2-methylbut-1-ene
SMILESC=C(C)CCOCCOCC
InChIInChI=1S/C9H18O2/c1-4-10-7-8-11-6-5-9(2)3/h2,4-8H2,1,3H3
InChIKeyMTZUWSBQWWIPNX-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.01
Rot. Bonds7

About 4-(2-ethoxyethoxy)-2-methylbut-1-ene

4-(2-ethoxyethoxy)-2-methylbut-1-ene (PubChem CID 174812172) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-2-methylbut-1-ene.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-2-methylbut-1-ene
PubChem CID174812172
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-(2-ethoxyethoxy)-2-methylbut-1-ene
SMILESC=C(C)CCOCCOCC
InChIInChI=1S/C9H18O2/c1-4-10-7-8-11-6-5-9(2)3/h2,4-8H2,1,3H3
InChIKeyMTZUWSBQWWIPNX-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-2-methylbut-1-ene?
The IUPAC name of 4-(2-ethoxyethoxy)-2-methylbut-1-ene (CID 174812172) is 4-(2-ethoxyethoxy)-2-methylbut-1-ene.
What is the SMILES notation for 4-(2-ethoxyethoxy)-2-methylbut-1-ene?
The canonical SMILES for 4-(2-ethoxyethoxy)-2-methylbut-1-ene is C=C(C)CCOCCOCC.
What is the InChIKey of 4-(2-ethoxyethoxy)-2-methylbut-1-ene?
The InChIKey is MTZUWSBQWWIPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-10-7-8-11-6-5-9(2)3/h2,4-8H2,1,3H3.
What are the key properties of 4-(2-ethoxyethoxy)-2-methylbut-1-ene?
4-(2-ethoxyethoxy)-2-methylbut-1-ene has a molecular weight of 158.24 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-2-methylbut-1-ene is sourced from PubChem (CID 174812172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).