1-(2,3-dichloropropoxy)hexane

C9H18Cl2O — CID 14269129

IUPAC1-(2,3-dichloropropoxy)hexane
SMILESCCCCCCOCC(Cl)CCl
InChIInChI=1S/C9H18Cl2O/c1-2-3-4-5-6-12-8-9(11)7-10/h9H,2-8H2,1H3
InChIKeyRMLKNIRFKYWOMQ-UHFFFAOYSA-N
MW213.15 g/mol
LogP3.43
Rot. Bonds8

About 1-(2,3-dichloropropoxy)hexane

1-(2,3-dichloropropoxy)hexane (PubChem CID 14269129) has the molecular formula C9H18Cl2O and a molecular weight of 213.15 g/mol. Its IUPAC name is 1-(2,3-dichloropropoxy)hexane.

Molecular Properties

Compound Name1-(2,3-dichloropropoxy)hexane
PubChem CID14269129
Molecular FormulaC9H18Cl2O
Molecular Weight213.15 g/mol
Exact Mass212.07
IUPAC Name1-(2,3-dichloropropoxy)hexane
SMILESCCCCCCOCC(Cl)CCl
InChIInChI=1S/C9H18Cl2O/c1-2-3-4-5-6-12-8-9(11)7-10/h9H,2-8H2,1H3
InChIKeyRMLKNIRFKYWOMQ-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 53.43
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

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CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
4-chloro-5-(2-heptoxyethoxy)-N-methylpentan-2-amine
CID 145201908
1-(chloromethoxy)nonane
CID 12579125
1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
1-(2-ethylbutoxy)decane
CID 22002893
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloropropoxy)hexane?
The IUPAC name of 1-(2,3-dichloropropoxy)hexane (CID 14269129) is 1-(2,3-dichloropropoxy)hexane.
What is the SMILES notation for 1-(2,3-dichloropropoxy)hexane?
The canonical SMILES for 1-(2,3-dichloropropoxy)hexane is CCCCCCOCC(Cl)CCl.
What is the InChIKey of 1-(2,3-dichloropropoxy)hexane?
The InChIKey is RMLKNIRFKYWOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Cl2O/c1-2-3-4-5-6-12-8-9(11)7-10/h9H,2-8H2,1H3.
What are the key properties of 1-(2,3-dichloropropoxy)hexane?
1-(2,3-dichloropropoxy)hexane has a molecular weight of 213.15 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloropropoxy)hexane is sourced from PubChem (CID 14269129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).