1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane

C11H21ClO2 — CID 63665009

IUPAC1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane
SMILESCC1CCC(OCCOCCCl)CC1
InChIInChI=1S/C11H21ClO2/c1-10-2-4-11(5-3-10)14-9-8-13-7-6-12/h10-11H,2-9H2,1H3
InChIKeyFDPZPVZPVZNLLG-UHFFFAOYSA-N
MW220.74 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane

1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane (PubChem CID 63665009) has the molecular formula C11H21ClO2 and a molecular weight of 220.74 g/mol. Its IUPAC name is 1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane
PubChem CID63665009
Molecular FormulaC11H21ClO2
Molecular Weight220.74 g/mol
Exact Mass220.12
IUPAC Name1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane
SMILESCC1CCC(OCCOCCCl)CC1
InChIInChI=1S/C11H21ClO2/c1-10-2-4-11(5-3-10)14-9-8-13-7-6-12/h10-11H,2-9H2,1H3
InChIKeyFDPZPVZPVZNLLG-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane?
The IUPAC name of 1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane (CID 63665009) is 1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane.
What is the SMILES notation for 1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane?
The canonical SMILES for 1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane is CC1CCC(OCCOCCCl)CC1.
What is the InChIKey of 1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane?
The InChIKey is FDPZPVZPVZNLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2/c1-10-2-4-11(5-3-10)14-9-8-13-7-6-12/h10-11H,2-9H2,1H3.
What are the key properties of 1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane?
1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane has a molecular weight of 220.74 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethoxy)ethoxy]-4-methylcyclohexane is sourced from PubChem (CID 63665009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).