3-chloroprop-1-ene;ethoxyethane

C7H15ClO — CID 88697114

IUPAC3-chloroprop-1-ene;ethoxyethane
SMILESC=CCCl.CCOCC
InChIInChI=1S/C4H10O.C3H5Cl/c1-3-5-4-2;1-2-3-4/h3-4H2,1-2H3;2H,1,3H2
InChIKeyRINLNNRVKAULDM-UHFFFAOYSA-N
MW150.65 g/mol
LogP2.45
Rot. Bonds3

About 3-chloroprop-1-ene;ethoxyethane

3-chloroprop-1-ene;ethoxyethane (PubChem CID 88697114) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is 3-chloroprop-1-ene;ethoxyethane.

Molecular Properties

Compound Name3-chloroprop-1-ene;ethoxyethane
PubChem CID88697114
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Name3-chloroprop-1-ene;ethoxyethane
SMILESC=CCCl.CCOCC
InChIInChI=1S/C4H10O.C3H5Cl/c1-3-5-4-2;1-2-3-4/h3-4H2,1-2H3;2H,1,3H2
InChIKeyRINLNNRVKAULDM-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 52.45
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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Related Compounds

buta-1,3-diene;ethoxyethane
CID 18964357
ethoxyethane;prop-1-ene
CID 22712887
ethoxyethane;fluoroethene
CID 87329841
ethenylsulfanylethane;ethoxyethane
CID 174814093
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
3-chloroprop-1-ene;N-methylmethanamine
CID 19802160
3-chloroprop-1-ene;prop-1-ene;hydrochloride
CID 173189425
3-chloroprop-1-ene;dimethylsilane
CID 173453388
ethoxyethane;3-methyltellanylprop-1-ene
CID 175171994
ethoxyethane;formaldehyde
CID 174286087
dichloromethane;ethoxyethane;methanol;hydrochloride
CID 131723053

Frequently Asked Questions

What is the IUPAC name of 3-chloroprop-1-ene;ethoxyethane?
The IUPAC name of 3-chloroprop-1-ene;ethoxyethane (CID 88697114) is 3-chloroprop-1-ene;ethoxyethane.
What is the SMILES notation for 3-chloroprop-1-ene;ethoxyethane?
The canonical SMILES for 3-chloroprop-1-ene;ethoxyethane is C=CCCl.CCOCC.
What is the InChIKey of 3-chloroprop-1-ene;ethoxyethane?
The InChIKey is RINLNNRVKAULDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H5Cl/c1-3-5-4-2;1-2-3-4/h3-4H2,1-2H3;2H,1,3H2.
What are the key properties of 3-chloroprop-1-ene;ethoxyethane?
3-chloroprop-1-ene;ethoxyethane has a molecular weight of 150.65 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroprop-1-ene;ethoxyethane is sourced from PubChem (CID 88697114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).