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

C9H18O2 — CID 22234804

IUPAC(E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene
SMILESCCOCCO/C=C(\C)CC
InChIInChI=1S/C9H18O2/c1-4-9(3)8-11-7-6-10-5-2/h8H,4-7H2,1-3H3/b9-8+
InChIKeyJOPSCRDAJSNOHQ-CMDGGOBGSA-N
MW158.24 g/mol
LogP2.35
Rot. Bonds6

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

(E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene (PubChem CID 22234804) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene
PubChem CID22234804
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene
SMILESCCOCCO/C=C(\C)CC
InChIInChI=1S/C9H18O2/c1-4-9(3)8-11-7-6-10-5-2/h8H,4-7H2,1-3H3/b9-8+
InChIKeyJOPSCRDAJSNOHQ-CMDGGOBGSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.35
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene?
The IUPAC name of (E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene (CID 22234804) is (E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene.
What is the SMILES notation for (E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene?
The canonical SMILES for (E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene is CCOCCO/C=C(\C)CC.
What is the InChIKey of (E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene?
The InChIKey is JOPSCRDAJSNOHQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-9(3)8-11-7-6-10-5-2/h8H,4-7H2,1-3H3/b9-8+.
What are the key properties of (E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene?
(E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene has a molecular weight of 158.24 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-ethoxyethoxy)-2-methylbut-1-ene is sourced from PubChem (CID 22234804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).