4-chloro-2-(2-methylpropoxy)hexane

C10H21ClO — CID 21032971

IUPAC4-chloro-2-(2-methylpropoxy)hexane
SMILESCCC(Cl)CC(C)OCC(C)C
InChIInChI=1S/C10H21ClO/c1-5-10(11)6-9(4)12-7-8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyCKGQTLRYDLIVQH-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.45
Rot. Bonds6

About 4-chloro-2-(2-methylpropoxy)hexane

4-chloro-2-(2-methylpropoxy)hexane (PubChem CID 21032971) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpropoxy)hexane.

Molecular Properties

Compound Name4-chloro-2-(2-methylpropoxy)hexane
PubChem CID21032971
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name4-chloro-2-(2-methylpropoxy)hexane
SMILESCCC(Cl)CC(C)OCC(C)C
InChIInChI=1S/C10H21ClO/c1-5-10(11)6-9(4)12-7-8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyCKGQTLRYDLIVQH-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 53.45
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 4-chloro-2-(2-methylpropoxy)hexane?
The IUPAC name of 4-chloro-2-(2-methylpropoxy)hexane (CID 21032971) is 4-chloro-2-(2-methylpropoxy)hexane.
What is the SMILES notation for 4-chloro-2-(2-methylpropoxy)hexane?
The canonical SMILES for 4-chloro-2-(2-methylpropoxy)hexane is CCC(Cl)CC(C)OCC(C)C.
What is the InChIKey of 4-chloro-2-(2-methylpropoxy)hexane?
The InChIKey is CKGQTLRYDLIVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO/c1-5-10(11)6-9(4)12-7-8(2)3/h8-10H,5-7H2,1-4H3.
What are the key properties of 4-chloro-2-(2-methylpropoxy)hexane?
4-chloro-2-(2-methylpropoxy)hexane has a molecular weight of 192.73 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpropoxy)hexane is sourced from PubChem (CID 21032971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).