5-chloro-1-ethoxyhexane

C8H17ClO — CID 64515389

IUPAC5-chloro-1-ethoxyhexane
SMILESCCOCCCCC(C)Cl
InChIInChI=1S/C8H17ClO/c1-3-10-7-5-4-6-8(2)9/h8H,3-7H2,1-2H3
InChIKeyAMBRIEXOHDFKPS-UHFFFAOYSA-N
MW164.68 g/mol
LogP2.82
Rot. Bonds6

About 5-chloro-1-ethoxyhexane

5-chloro-1-ethoxyhexane (PubChem CID 64515389) has the molecular formula C8H17ClO and a molecular weight of 164.68 g/mol. Its IUPAC name is 5-chloro-1-ethoxyhexane.

Molecular Properties

Compound Name5-chloro-1-ethoxyhexane
PubChem CID64515389
Molecular FormulaC8H17ClO
Molecular Weight164.68 g/mol
Exact Mass164.10
IUPAC Name5-chloro-1-ethoxyhexane
SMILESCCOCCCCC(C)Cl
InChIInChI=1S/C8H17ClO/c1-3-10-7-5-4-6-8(2)9/h8H,3-7H2,1-2H3
InChIKeyAMBRIEXOHDFKPS-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.68
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-17-methyloctadecane
CID 91042875
4-chloro-N-(2-ethoxyethyl)pentan-1-amine
CID 106121607
5-chloro-1-ethoxy-6,6-dimethylheptane
CID 64508450
4-chloro-1-(3-methylbutoxy)pentane
CID 55030995
7-ethoxy-3-methylhept-1-yne
CID 91807315
(1-chloro-5-ethoxypentyl)benzene
CID 64506670
6-ethoxy-2-methylhexanoic acid
CID 21074373
1-chloro-14-ethoxytetradecane
CID 173330502
azane;2-chloropentadecane
CID 88746937
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
2-chloro-9-methyldecane
CID 174557182
14-ethoxytetradecane-1,3-diol
CID 57222760

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethoxyhexane?
The IUPAC name of 5-chloro-1-ethoxyhexane (CID 64515389) is 5-chloro-1-ethoxyhexane.
What is the SMILES notation for 5-chloro-1-ethoxyhexane?
The canonical SMILES for 5-chloro-1-ethoxyhexane is CCOCCCCC(C)Cl.
What is the InChIKey of 5-chloro-1-ethoxyhexane?
The InChIKey is AMBRIEXOHDFKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO/c1-3-10-7-5-4-6-8(2)9/h8H,3-7H2,1-2H3.
What are the key properties of 5-chloro-1-ethoxyhexane?
5-chloro-1-ethoxyhexane has a molecular weight of 164.68 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethoxyhexane is sourced from PubChem (CID 64515389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).