1-[(E)-2-chloroethenoxy]butane

C6H11ClO — CID 12540865

IUPAC1-[(E)-2-chloroethenoxy]butane
SMILESCCCCO/C=C/Cl
InChIInChI=1S/C6H11ClO/c1-2-3-5-8-6-4-7/h4,6H,2-3,5H2,1H3/b6-4+
InChIKeyNFFACRBPFHIDRU-GQCTYLIASA-N
MW134.61 g/mol
LogP2.51
Rot. Bonds4

About 1-[(E)-2-chloroethenoxy]butane

1-[(E)-2-chloroethenoxy]butane (PubChem CID 12540865) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 1-[(E)-2-chloroethenoxy]butane.

Molecular Properties

Compound Name1-[(E)-2-chloroethenoxy]butane
PubChem CID12540865
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name1-[(E)-2-chloroethenoxy]butane
SMILESCCCCO/C=C/Cl
InChIInChI=1S/C6H11ClO/c1-2-3-5-8-6-4-7/h4,6H,2-3,5H2,1H3/b6-4+
InChIKeyNFFACRBPFHIDRU-GQCTYLIASA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-[(E)-but-1-enoxy]butane
CID 5364928
(E)-3-butoxyprop-2-enoyl chloride
CID 18183470
1-[2-(2-ethoxyethoxy)ethenoxy]butane
CID 73415368
1-butoxyheptadec-1-ene
CID 173032025
1-butoxynonadec-1-ene
CID 173032007
(E)-1,4-dibutoxybut-1-ene
CID 15357022
4-butoxybut-3-en-1-amine
CID 174730615
2-pentoxyethenol
CID 173159715
1-prop-1-enoxydecane
CID 54116737
1-butoxyocta-1,6-diene
CID 87963042
3-butoxyprop-2-enamide
CID 54167422
(1E,3Z,5E)-1-butoxy-7-methylocta-1,3,5-triene
CID 88539087

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloroethenoxy]butane?
The IUPAC name of 1-[(E)-2-chloroethenoxy]butane (CID 12540865) is 1-[(E)-2-chloroethenoxy]butane.
What is the SMILES notation for 1-[(E)-2-chloroethenoxy]butane?
The canonical SMILES for 1-[(E)-2-chloroethenoxy]butane is CCCCO/C=C/Cl.
What is the InChIKey of 1-[(E)-2-chloroethenoxy]butane?
The InChIKey is NFFACRBPFHIDRU-GQCTYLIASA-N. The full InChI is InChI=1S/C6H11ClO/c1-2-3-5-8-6-4-7/h4,6H,2-3,5H2,1H3/b6-4+.
What are the key properties of 1-[(E)-2-chloroethenoxy]butane?
1-[(E)-2-chloroethenoxy]butane has a molecular weight of 134.61 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloroethenoxy]butane is sourced from PubChem (CID 12540865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).