1-[(E)-3-chloroprop-2-enoxy]butane

C7H13ClO — CID 19896154

IUPAC1-[(E)-3-chloroprop-2-enoxy]butane
SMILESCCCCOC/C=C/Cl
InChIInChI=1S/C7H13ClO/c1-2-3-6-9-7-4-5-8/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyRKKWNWPJDTUFAP-SNAWJCMRSA-N
MW148.63 g/mol
LogP2.56
Rot. Bonds5

About 1-[(E)-3-chloroprop-2-enoxy]butane

1-[(E)-3-chloroprop-2-enoxy]butane (PubChem CID 19896154) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enoxy]butane.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enoxy]butane
PubChem CID19896154
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name1-[(E)-3-chloroprop-2-enoxy]butane
SMILESCCCCOC/C=C/Cl
InChIInChI=1S/C7H13ClO/c1-2-3-6-9-7-4-5-8/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyRKKWNWPJDTUFAP-SNAWJCMRSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Chloroethoxy)prop-1-ene
CID 4462293
Allyl 1-chloroethyl ether
CID 13099177
Chloroallyl ether
CID 57001831
3-(1-Chloroethoxy)-3-fluoroprop-1-ene
CID 88634372
3-(2-Chloroethoxy)-3-fluoroprop-1-ene
CID 88634718
3-(1-Chloroethoxy)-1-fluoroprop-1-ene
CID 173398400
3-(2-Chloroethoxy)-1-fluoroprop-1-ene
CID 173398520
2-Butene, 1-chloro-4-ethoxy-
CID 5369204
(E)-1-chloro-3-ethoxyprop-1-ene
CID 18415297
Trichloro-allyl butyl ether
CID 14687242
1-Chloro-4-ethoxy-2-butene
CID 567303
3-Chloro-3-methoxyprop-1-ene
CID 10240780

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enoxy]butane?
The IUPAC name of 1-[(E)-3-chloroprop-2-enoxy]butane (CID 19896154) is 1-[(E)-3-chloroprop-2-enoxy]butane.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enoxy]butane?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enoxy]butane is CCCCOC/C=C/Cl.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enoxy]butane?
The InChIKey is RKKWNWPJDTUFAP-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13ClO/c1-2-3-6-9-7-4-5-8/h4-5H,2-3,6-7H2,1H3/b5-4+.
What are the key properties of 1-[(E)-3-chloroprop-2-enoxy]butane?
1-[(E)-3-chloroprop-2-enoxy]butane has a molecular weight of 148.63 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enoxy]butane is sourced from PubChem (CID 19896154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).