3-(2-chloroethyl)oxane

C7H13ClO — CID 64867917

IUPAC3-(2-chloroethyl)oxane
SMILESClCCC1CCCOC1
InChIInChI=1S/C7H13ClO/c8-4-3-7-2-1-5-9-6-7/h7H,1-6H2
InChIKeyKEQHQCLAMXWUNO-UHFFFAOYSA-N
MW148.63 g/mol
LogP2.04
Rot. Bonds2

About 3-(2-chloroethyl)oxane

3-(2-chloroethyl)oxane (PubChem CID 64867917) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is 3-(2-chloroethyl)oxane.

Molecular Properties

Compound Name3-(2-chloroethyl)oxane
PubChem CID64867917
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name3-(2-chloroethyl)oxane
SMILESClCCC1CCCOC1
InChIInChI=1S/C7H13ClO/c8-4-3-7-2-1-5-9-6-7/h7H,1-6H2
InChIKeyKEQHQCLAMXWUNO-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(3R)-oxan-3-yl]propane-1-thiol
CID 142369160
3-(3-chloropentyl)oxane
CID 107137866
3-octyloxane
CID 69236112
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-ethyl-2-(oxan-3-yl)ethanamine
CID 64866831
3-(5-chloropentyl)oxolane
CID 165447140
3-[4-(disulfanyl)butyl]oxane
CID 167054998
3-(3-methylsulfanyloxypropyl)oxane
CID 143739199
2-ethyl-5-[2-(oxan-3-yl)ethyl]oxane
CID 153020675
1-[2-(oxan-3-yl)ethyl]cyclohexan-1-ol
CID 115073811
4,4-dimethyl-1-(oxan-3-yl)pentan-3-one
CID 107137760
N-methylsulfanyl-1-(oxan-3-yl)methanamine
CID 123744693

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)oxane?
The IUPAC name of 3-(2-chloroethyl)oxane (CID 64867917) is 3-(2-chloroethyl)oxane.
What is the SMILES notation for 3-(2-chloroethyl)oxane?
The canonical SMILES for 3-(2-chloroethyl)oxane is ClCCC1CCCOC1.
What is the InChIKey of 3-(2-chloroethyl)oxane?
The InChIKey is KEQHQCLAMXWUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO/c8-4-3-7-2-1-5-9-6-7/h7H,1-6H2.
What are the key properties of 3-(2-chloroethyl)oxane?
3-(2-chloroethyl)oxane has a molecular weight of 148.63 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)oxane is sourced from PubChem (CID 64867917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).