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

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Related Compounds

(1S,3R,4S)-3-ethoxy-5-oxaspiro[3.4]octan-1-amine
CID 97184743
2-N,2-N,2-N',2-N'-tetramethyloxolane-2,2-diamine
CID 174918997
(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane
CID 101092010
1-oxaspiro[4.5]decan-8-amine
CID 67070405
CID 123510961
CID 123510961
4,9-dioxaspiro[2.6]nonane
CID 68651979
(5R,9R)-4-bromo-1-oxaspiro[4.4]nonan-9-ol
CID 117070668
spiro[bicyclo[2.2.1]heptane-2,2'-oxolane]
CID 165155234
(2R)-2-iodo-2-methyloxolane
CID 139354420
methanol;4-oxaspiro[2.4]heptane
CID 144744375
(1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane
CID 11058243
spiro[1,3-dioxolane-2,8'-bicyclo[14.1.0]heptadecane]
CID 91594454

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).