(E)-1-(2-methoxyethoxy)but-1-ene

C7H14O2 — CID 87392551

IUPAC(E)-1-(2-methoxyethoxy)but-1-ene
SMILESCC/C=C/OCCOC
InChIInChI=1S/C7H14O2/c1-3-4-5-9-7-6-8-2/h4-5H,3,6-7H2,1-2H3/b5-4+
InChIKeyXZVJZEAWJMXMPF-SNAWJCMRSA-N
MW130.19 g/mol
LogP1.57
Rot. Bonds5

About (E)-1-(2-methoxyethoxy)but-1-ene

(E)-1-(2-methoxyethoxy)but-1-ene (PubChem CID 87392551) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (E)-1-(2-methoxyethoxy)but-1-ene.

Molecular Properties

Compound Name(E)-1-(2-methoxyethoxy)but-1-ene
PubChem CID87392551
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(E)-1-(2-methoxyethoxy)but-1-ene
SMILESCC/C=C/OCCOC
InChIInChI=1S/C7H14O2/c1-3-4-5-9-7-6-8-2/h4-5H,3,6-7H2,1-2H3/b5-4+
InChIKeyXZVJZEAWJMXMPF-SNAWJCMRSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.57
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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Related Compounds

cis-1-Butenyl ethyl ether
CID 5364930
(E)-1-Methoxy-1-butene
CID 5366228
1-Ethoxybut-1-ene
CID 138375
1-Butene, 1-methoxy-
CID 94402
cis-1-Methoxy-1-butene
CID 5366227
(1Z)-1-ethoxybut-1-ene
CID 5364929
1,4-Dimethoxybuten
CID 20567909
1-Ethoxypent-1-ene
CID 53422436
1-{2-[(Prop-1-en-1-yl)oxy]ethoxy}prop-1-ene
CID 53933835
Methoxypentene
CID 54006423
Butenylether
CID 54078890
1Butenyl vinyl ether
CID 54324490

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-methoxyethoxy)but-1-ene?
The IUPAC name of (E)-1-(2-methoxyethoxy)but-1-ene (CID 87392551) is (E)-1-(2-methoxyethoxy)but-1-ene.
What is the SMILES notation for (E)-1-(2-methoxyethoxy)but-1-ene?
The canonical SMILES for (E)-1-(2-methoxyethoxy)but-1-ene is CC/C=C/OCCOC.
What is the InChIKey of (E)-1-(2-methoxyethoxy)but-1-ene?
The InChIKey is XZVJZEAWJMXMPF-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-5-9-7-6-8-2/h4-5H,3,6-7H2,1-2H3/b5-4+.
What are the key properties of (E)-1-(2-methoxyethoxy)but-1-ene?
(E)-1-(2-methoxyethoxy)but-1-ene has a molecular weight of 130.19 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methoxyethoxy)but-1-ene is sourced from PubChem (CID 87392551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).