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

C7H13ClO — CID 19896155

IUPAC2-[(E)-3-chloroprop-2-enoxy]butane
SMILESCCC(C)OC/C=C/Cl
InChIInChI=1S/C7H13ClO/c1-3-7(2)9-6-4-5-8/h4-5,7H,3,6H2,1-2H3/b5-4+
InChIKeyGBYOFEKRFGEFBE-SNAWJCMRSA-N
MW148.63 g/mol
LogP2.55
Rot. Bonds4

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

2-[(E)-3-chloroprop-2-enoxy]butane (PubChem CID 19896155) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is 2-[(E)-3-chloroprop-2-enoxy]butane.

Molecular Properties

Compound Name2-[(E)-3-chloroprop-2-enoxy]butane
PubChem CID19896155
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name2-[(E)-3-chloroprop-2-enoxy]butane
SMILESCCC(C)OC/C=C/Cl
InChIInChI=1S/C7H13ClO/c1-3-7(2)9-6-4-5-8/h4-5,7H,3,6H2,1-2H3/b5-4+
InChIKeyGBYOFEKRFGEFBE-SNAWJCMRSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-chloroprop-2-enoxy]butane?
The IUPAC name of 2-[(E)-3-chloroprop-2-enoxy]butane (CID 19896155) is 2-[(E)-3-chloroprop-2-enoxy]butane.
What is the SMILES notation for 2-[(E)-3-chloroprop-2-enoxy]butane?
The canonical SMILES for 2-[(E)-3-chloroprop-2-enoxy]butane is CCC(C)OC/C=C/Cl.
What is the InChIKey of 2-[(E)-3-chloroprop-2-enoxy]butane?
The InChIKey is GBYOFEKRFGEFBE-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13ClO/c1-3-7(2)9-6-4-5-8/h4-5,7H,3,6H2,1-2H3/b5-4+.
What are the key properties of 2-[(E)-3-chloroprop-2-enoxy]butane?
2-[(E)-3-chloroprop-2-enoxy]butane has a molecular weight of 148.63 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-chloroprop-2-enoxy]butane is sourced from PubChem (CID 19896155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).