[2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane

C11H21ClO — CID 106931326

IUPAC[2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane
SMILESCCC(CC)(CCl)COCC1CC1
InChIInChI=1S/C11H21ClO/c1-3-11(4-2,8-12)9-13-7-10-5-6-10/h10H,3-9H2,1-2H3
InChIKeyOXFLYXOXICHZLL-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.46
Rot. Bonds7

About [2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane

[2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane (PubChem CID 106931326) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is [2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane.

Molecular Properties

Compound Name[2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane
PubChem CID106931326
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name[2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane
SMILESCCC(CC)(CCl)COCC1CC1
InChIInChI=1S/C11H21ClO/c1-3-11(4-2,8-12)9-13-7-10-5-6-10/h10H,3-9H2,1-2H3
InChIKeyOXFLYXOXICHZLL-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.46
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 [2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane?
The IUPAC name of [2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane (CID 106931326) is [2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane.
What is the SMILES notation for [2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane?
The canonical SMILES for [2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane is CCC(CC)(CCl)COCC1CC1.
What is the InChIKey of [2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane?
The InChIKey is OXFLYXOXICHZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-3-11(4-2,8-12)9-13-7-10-5-6-10/h10H,3-9H2,1-2H3.
What are the key properties of [2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane?
[2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane has a molecular weight of 204.74 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-2-ethylbutoxy]methylcyclopropane is sourced from PubChem (CID 106931326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).