2-(2-chloroethoxy)octane

C10H21ClO — CID 20788636

IUPAC2-(2-chloroethoxy)octane
SMILESCCCCCCC(C)OCCCl
InChIInChI=1S/C10H21ClO/c1-3-4-5-6-7-10(2)12-9-8-11/h10H,3-9H2,1-2H3
InChIKeyWAKOFUDHBWGHKW-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.60
Rot. Bonds8

About 2-(2-chloroethoxy)octane

2-(2-chloroethoxy)octane (PubChem CID 20788636) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 2-(2-chloroethoxy)octane.

Molecular Properties

Compound Name2-(2-chloroethoxy)octane
PubChem CID20788636
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name2-(2-chloroethoxy)octane
SMILESCCCCCCC(C)OCCCl
InChIInChI=1S/C10H21ClO/c1-3-4-5-6-7-10(2)12-9-8-11/h10H,3-9H2,1-2H3
InChIKeyWAKOFUDHBWGHKW-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-hexan-2-yloxydecane
CID 57029724
2-(2-methoxyethoxy)octadecane
CID 89276167
2-octan-2-yloxyethanamine
CID 43127313
2-ethoxytridecane
CID 54143367
(2S)-1-chloro-2-(2-chloroethoxy)decane
CID 98152177
N-(2-octan-2-yloxyethyl)pentan-1-amine
CID 55194379
octan-2-yloxymethanol
CID 57306212
2-(1-octan-2-yloxypropan-2-yloxy)ethanol
CID 20688305

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)octane?
The IUPAC name of 2-(2-chloroethoxy)octane (CID 20788636) is 2-(2-chloroethoxy)octane.
What is the SMILES notation for 2-(2-chloroethoxy)octane?
The canonical SMILES for 2-(2-chloroethoxy)octane is CCCCCCC(C)OCCCl.
What is the InChIKey of 2-(2-chloroethoxy)octane?
The InChIKey is WAKOFUDHBWGHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO/c1-3-4-5-6-7-10(2)12-9-8-11/h10H,3-9H2,1-2H3.
What are the key properties of 2-(2-chloroethoxy)octane?
2-(2-chloroethoxy)octane has a molecular weight of 192.73 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)octane is sourced from PubChem (CID 20788636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).