1,1-bis(chloromethoxy)cyclobutane

C6H10Cl2O2 — CID 23616276

IUPAC1,1-bis(chloromethoxy)cyclobutane
SMILESClCOC1(OCCl)CCC1
InChIInChI=1S/C6H10Cl2O2/c7-4-9-6(10-5-8)2-1-3-6/h1-5H2
InChIKeyHXHYIKVDLGZLGX-UHFFFAOYSA-N
MW185.05 g/mol
LogP2.29
Rot. Bonds4

About 1,1-bis(chloromethoxy)cyclobutane

1,1-bis(chloromethoxy)cyclobutane (PubChem CID 23616276) has the molecular formula C6H10Cl2O2 and a molecular weight of 185.05 g/mol. Its IUPAC name is 1,1-bis(chloromethoxy)cyclobutane.

Molecular Properties

Compound Name1,1-bis(chloromethoxy)cyclobutane
PubChem CID23616276
Molecular FormulaC6H10Cl2O2
Molecular Weight185.05 g/mol
Exact Mass184.01
IUPAC Name1,1-bis(chloromethoxy)cyclobutane
SMILESClCOC1(OCCl)CCC1
InChIInChI=1S/C6H10Cl2O2/c7-4-9-6(10-5-8)2-1-3-6/h1-5H2
InChIKeyHXHYIKVDLGZLGX-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.05
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-bis(3-chloropropoxy)cyclohexane
CID 139677347
1,1-dipropoxycyclodecane
CID 89439642
1,1-bis(prop-2-enoxy)cyclohexane
CID 10867252
1,1-dibutoxycyclopentane
CID 18792031
1,1,3,3-tetraethoxycyclohexane
CID 151917056
1,1-dibutoxycyclooctane
CID 18791994
1,1-bis(3,3-dimethylbutoxy)cyclopentane
CID 155455157
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
1,1-dipropoxycyclononane;trimethylphosphane;hydroiodide
CID 175350547
1,1-diethoxycyclopropane;sulfane
CID 175457696
1,1-bis(hept-3-enoxy)cyclohexane
CID 69187054
1,1-bis[(2E,4E)-hepta-2,4-dienoxy]cyclohexane
CID 87726391

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(chloromethoxy)cyclobutane?
The IUPAC name of 1,1-bis(chloromethoxy)cyclobutane (CID 23616276) is 1,1-bis(chloromethoxy)cyclobutane.
What is the SMILES notation for 1,1-bis(chloromethoxy)cyclobutane?
The canonical SMILES for 1,1-bis(chloromethoxy)cyclobutane is ClCOC1(OCCl)CCC1.
What is the InChIKey of 1,1-bis(chloromethoxy)cyclobutane?
The InChIKey is HXHYIKVDLGZLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O2/c7-4-9-6(10-5-8)2-1-3-6/h1-5H2.
What are the key properties of 1,1-bis(chloromethoxy)cyclobutane?
1,1-bis(chloromethoxy)cyclobutane has a molecular weight of 185.05 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(chloromethoxy)cyclobutane is sourced from PubChem (CID 23616276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).