spiro[bicyclo[1.1.0]butane-2,2'-oxolane]

C7H10O — CID 89367197

IUPACspiro[bicyclo[1.1.0]butane-2,2'-oxolane]
SMILESC1COC2(C1)C1CC12
InChIInChI=1S/C7H10O/c1-2-7(8-3-1)5-4-6(5)7/h5-6H,1-4H2
InChIKeyJSQUAABKBKALID-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.19
Rot. Bonds

About spiro[bicyclo[1.1.0]butane-2,2'-oxolane]

spiro[bicyclo[1.1.0]butane-2,2'-oxolane] (PubChem CID 89367197) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is spiro[bicyclo[1.1.0]butane-2,2'-oxolane].

Molecular Properties

Compound Namespiro[bicyclo[1.1.0]butane-2,2'-oxolane]
PubChem CID89367197
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Namespiro[bicyclo[1.1.0]butane-2,2'-oxolane]
SMILESC1COC2(C1)C1CC12
InChIInChI=1S/C7H10O/c1-2-7(8-3-1)5-4-6(5)7/h5-6H,1-4H2
InChIKeyJSQUAABKBKALID-UHFFFAOYSA-N
XLogP1.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze spiro[bicyclo[1.1.0]butane-2,2'-oxolane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[1.1.0]butane-2,2'-oxolane]?
The IUPAC name of spiro[bicyclo[1.1.0]butane-2,2'-oxolane] (CID 89367197) is spiro[bicyclo[1.1.0]butane-2,2'-oxolane].
What is the SMILES notation for spiro[bicyclo[1.1.0]butane-2,2'-oxolane]?
The canonical SMILES for spiro[bicyclo[1.1.0]butane-2,2'-oxolane] is C1COC2(C1)C1CC12.
What is the InChIKey of spiro[bicyclo[1.1.0]butane-2,2'-oxolane]?
The InChIKey is JSQUAABKBKALID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-7(8-3-1)5-4-6(5)7/h5-6H,1-4H2.
What are the key properties of spiro[bicyclo[1.1.0]butane-2,2'-oxolane]?
spiro[bicyclo[1.1.0]butane-2,2'-oxolane] has a molecular weight of 110.16 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[1.1.0]butane-2,2'-oxolane] is sourced from PubChem (CID 89367197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).