1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane

C10H19ClO — CID 66034432

IUPAC1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane
SMILESCC(C)OCCC1(CCl)CCC1
InChIInChI=1S/C10H19ClO/c1-9(2)12-7-6-10(8-11)4-3-5-10/h9H,3-8H2,1-2H3
InChIKeyPCUIQQMOQUZQTR-UHFFFAOYSA-N
MW190.71 g/mol
LogP3.21
Rot. Bonds5

About 1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane

1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane (PubChem CID 66034432) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane.

Molecular Properties

Compound Name1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane
PubChem CID66034432
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane
SMILESCC(C)OCCC1(CCl)CCC1
InChIInChI=1S/C10H19ClO/c1-9(2)12-7-6-10(8-11)4-3-5-10/h9H,3-8H2,1-2H3
InChIKeyPCUIQQMOQUZQTR-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.21
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-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane?
The IUPAC name of 1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane (CID 66034432) is 1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane.
What is the SMILES notation for 1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane?
The canonical SMILES for 1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane is CC(C)OCCC1(CCl)CCC1.
What is the InChIKey of 1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane?
The InChIKey is PCUIQQMOQUZQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-9(2)12-7-6-10(8-11)4-3-5-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane?
1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane has a molecular weight of 190.71 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(2-propan-2-yloxyethyl)cyclobutane is sourced from PubChem (CID 66034432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).