1-(2-chloroethoxy)octane

C10H21ClO — CID 20788542

IUPAC1-(2-chloroethoxy)octane
SMILESCCCCCCCCOCCCl
InChIInChI=1S/C10H21ClO/c1-2-3-4-5-6-7-9-12-10-8-11/h2-10H2,1H3
InChIKeyHWXKVFMALKBLOS-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.60
Rot. Bonds9

About 1-(2-chloroethoxy)octane

1-(2-chloroethoxy)octane (PubChem CID 20788542) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 1-(2-chloroethoxy)octane.

Molecular Properties

Compound Name1-(2-chloroethoxy)octane
PubChem CID20788542
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name1-(2-chloroethoxy)octane
SMILESCCCCCCCCOCCCl
InChIInChI=1S/C10H21ClO/c1-2-3-4-5-6-7-9-12-10-8-11/h2-10H2,1H3
InChIKeyHWXKVFMALKBLOS-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 53.60
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-(5-chloropentoxy)octane
CID 43348463
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-(2-decoxyethoxy)decane
CID 14009354
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethoxy)octane?
The IUPAC name of 1-(2-chloroethoxy)octane (CID 20788542) is 1-(2-chloroethoxy)octane.
What is the SMILES notation for 1-(2-chloroethoxy)octane?
The canonical SMILES for 1-(2-chloroethoxy)octane is CCCCCCCCOCCCl.
What is the InChIKey of 1-(2-chloroethoxy)octane?
The InChIKey is HWXKVFMALKBLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO/c1-2-3-4-5-6-7-9-12-10-8-11/h2-10H2,1H3.
What are the key properties of 1-(2-chloroethoxy)octane?
1-(2-chloroethoxy)octane has a molecular weight of 192.73 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)octane is sourced from PubChem (CID 20788542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).