1-chloro-1-prop-2-enoxypropane

C6H11ClO — CID 15060434

IUPAC1-chloro-1-prop-2-enoxypropane
SMILESC=CCOC(Cl)CC
InChIInChI=1S/C6H11ClO/c1-3-5-8-6(7)4-2/h3,6H,1,4-5H2,2H3
InChIKeyZWVXTQADBCXAMI-UHFFFAOYSA-N
MW134.61 g/mol
LogP2.16
Rot. Bonds4

About 1-chloro-1-prop-2-enoxypropane

1-chloro-1-prop-2-enoxypropane (PubChem CID 15060434) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 1-chloro-1-prop-2-enoxypropane.

Molecular Properties

Compound Name1-chloro-1-prop-2-enoxypropane
PubChem CID15060434
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name1-chloro-1-prop-2-enoxypropane
SMILESC=CCOC(Cl)CC
InChIInChI=1S/C6H11ClO/c1-3-5-8-6(7)4-2/h3,6H,1,4-5H2,2H3
InChIKeyZWVXTQADBCXAMI-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-prop-2-enoxypropane?
The IUPAC name of 1-chloro-1-prop-2-enoxypropane (CID 15060434) is 1-chloro-1-prop-2-enoxypropane.
What is the SMILES notation for 1-chloro-1-prop-2-enoxypropane?
The canonical SMILES for 1-chloro-1-prop-2-enoxypropane is C=CCOC(Cl)CC.
What is the InChIKey of 1-chloro-1-prop-2-enoxypropane?
The InChIKey is ZWVXTQADBCXAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-3-5-8-6(7)4-2/h3,6H,1,4-5H2,2H3.
What are the key properties of 1-chloro-1-prop-2-enoxypropane?
1-chloro-1-prop-2-enoxypropane has a molecular weight of 134.61 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-prop-2-enoxypropane is sourced from PubChem (CID 15060434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).