1-(chloromethoxymethyl)-4-ethylcyclohexane

C10H19ClO — CID 143398974

IUPAC1-(chloromethoxymethyl)-4-ethylcyclohexane
SMILESCCC1CCC(COCCl)CC1
InChIInChI=1S/C10H19ClO/c1-2-9-3-5-10(6-4-9)7-12-8-11/h9-10H,2-8H2,1H3
InChIKeyJXGIMXWHXQDLNI-UHFFFAOYSA-N
MW190.71 g/mol
LogP3.42
Rot. Bonds4

About 1-(chloromethoxymethyl)-4-ethylcyclohexane

1-(chloromethoxymethyl)-4-ethylcyclohexane (PubChem CID 143398974) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 1-(chloromethoxymethyl)-4-ethylcyclohexane.

Molecular Properties

Compound Name1-(chloromethoxymethyl)-4-ethylcyclohexane
PubChem CID143398974
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name1-(chloromethoxymethyl)-4-ethylcyclohexane
SMILESCCC1CCC(COCCl)CC1
InChIInChI=1S/C10H19ClO/c1-2-9-3-5-10(6-4-9)7-12-8-11/h9-10H,2-8H2,1H3
InChIKeyJXGIMXWHXQDLNI-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.42
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 1-(chloromethoxymethyl)-4-ethylcyclohexane?
The IUPAC name of 1-(chloromethoxymethyl)-4-ethylcyclohexane (CID 143398974) is 1-(chloromethoxymethyl)-4-ethylcyclohexane.
What is the SMILES notation for 1-(chloromethoxymethyl)-4-ethylcyclohexane?
The canonical SMILES for 1-(chloromethoxymethyl)-4-ethylcyclohexane is CCC1CCC(COCCl)CC1.
What is the InChIKey of 1-(chloromethoxymethyl)-4-ethylcyclohexane?
The InChIKey is JXGIMXWHXQDLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-2-9-3-5-10(6-4-9)7-12-8-11/h9-10H,2-8H2,1H3.
What are the key properties of 1-(chloromethoxymethyl)-4-ethylcyclohexane?
1-(chloromethoxymethyl)-4-ethylcyclohexane has a molecular weight of 190.71 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethoxymethyl)-4-ethylcyclohexane is sourced from PubChem (CID 143398974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).