spiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane]

C8H8O — CID 23253002

IUPACspiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane]
SMILESC1OC12C1C3C1C1C3C12
InChIInChI=1S/C8H8O/c1-8(9-1)6-2-3(6)5-4(2)7(5)8/h2-7H,1H2
InChIKeyPRHKKJKMKDZQMC-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.51
Rot. Bonds

About spiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane]

spiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane] (PubChem CID 23253002) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is spiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane].

Molecular Properties

Compound Namespiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane]
PubChem CID23253002
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Namespiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane]
SMILESC1OC12C1C3C1C1C3C12
InChIInChI=1S/C8H8O/c1-8(9-1)6-2-3(6)5-4(2)7(5)8/h2-7H,1H2
InChIKeyPRHKKJKMKDZQMC-UHFFFAOYSA-N
XLogP0.51
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze spiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane] 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[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane]?
The IUPAC name of spiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane] (CID 23253002) is spiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane].
What is the SMILES notation for spiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane]?
The canonical SMILES for spiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane] is C1OC12C1C3C1C1C3C12.
What is the InChIKey of spiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane]?
The InChIKey is PRHKKJKMKDZQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-8(9-1)6-2-3(6)5-4(2)7(5)8/h2-7H,1H2.
What are the key properties of spiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane]?
spiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane] has a molecular weight of 120.15 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[oxirane-2,3'-tetracyclo[3.2.0.02,7.04,6]heptane] is sourced from PubChem (CID 23253002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).