2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane

C11H21ClO — CID 66343647

IUPAC2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane
SMILESCCC1(C)C(Cl)CC1OC(C)(C)C
InChIInChI=1S/C11H21ClO/c1-6-11(5)8(12)7-9(11)13-10(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyHZTGNRZANZXKBE-UHFFFAOYSA-N
MW204.74 g/mol
LogP3.60
Rot. Bonds2

About 2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane

2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane (PubChem CID 66343647) has the molecular formula C11H21ClO and a molecular weight of 204.74 g/mol. Its IUPAC name is 2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane.

Molecular Properties

Compound Name2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane
PubChem CID66343647
Molecular FormulaC11H21ClO
Molecular Weight204.74 g/mol
Exact Mass204.13
IUPAC Name2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane
SMILESCCC1(C)C(Cl)CC1OC(C)(C)C
InChIInChI=1S/C11H21ClO/c1-6-11(5)8(12)7-9(11)13-10(2,3)4/h8-9H,6-7H2,1-5H3
InChIKeyHZTGNRZANZXKBE-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 53.60
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-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane?
The IUPAC name of 2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane (CID 66343647) is 2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane.
What is the SMILES notation for 2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane?
The canonical SMILES for 2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane is CCC1(C)C(Cl)CC1OC(C)(C)C.
What is the InChIKey of 2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane?
The InChIKey is HZTGNRZANZXKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO/c1-6-11(5)8(12)7-9(11)13-10(2,3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane?
2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane has a molecular weight of 204.74 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane is sourced from PubChem (CID 66343647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).