2-chloro-4-methoxyhexane

C7H15ClO — CID 174929497

IUPAC2-chloro-4-methoxyhexane
SMILESCCC(CC(C)Cl)OC
InChIInChI=1S/C7H15ClO/c1-4-7(9-3)5-6(2)8/h6-7H,4-5H2,1-3H3
InChIKeyPFMINDSKZBETEQ-UHFFFAOYSA-N
MW150.65 g/mol
LogP2.43
Rot. Bonds4

About 2-chloro-4-methoxyhexane

2-chloro-4-methoxyhexane (PubChem CID 174929497) has the molecular formula C7H15ClO and a molecular weight of 150.65 g/mol. Its IUPAC name is 2-chloro-4-methoxyhexane.

Molecular Properties

Compound Name2-chloro-4-methoxyhexane
PubChem CID174929497
Molecular FormulaC7H15ClO
Molecular Weight150.65 g/mol
Exact Mass150.08
IUPAC Name2-chloro-4-methoxyhexane
SMILESCCC(CC(C)Cl)OC
InChIInChI=1S/C7H15ClO/c1-4-7(9-3)5-6(2)8/h6-7H,4-5H2,1-3H3
InChIKeyPFMINDSKZBETEQ-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxyhexane?
The IUPAC name of 2-chloro-4-methoxyhexane (CID 174929497) is 2-chloro-4-methoxyhexane.
What is the SMILES notation for 2-chloro-4-methoxyhexane?
The canonical SMILES for 2-chloro-4-methoxyhexane is CCC(CC(C)Cl)OC.
What is the InChIKey of 2-chloro-4-methoxyhexane?
The InChIKey is PFMINDSKZBETEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO/c1-4-7(9-3)5-6(2)8/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-chloro-4-methoxyhexane?
2-chloro-4-methoxyhexane has a molecular weight of 150.65 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxyhexane is sourced from PubChem (CID 174929497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).