spiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]

C12H14O — CID 73357626

IUPACspiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]
SMILESC1C2C3CC4C2C2C1C3C4C21CO1
InChIInChI=1S/C12H14O/c1-4-5-2-7-8(4)10-6(1)9(5)11(7)12(10)3-13-12/h4-11H,1-3H2
InChIKeyVZMFKLLYFNWTGE-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.53
Rot. Bonds

About spiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]

spiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane] (PubChem CID 73357626) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is spiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane].

Molecular Properties

Compound Namespiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]
PubChem CID73357626
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Namespiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]
SMILESC1C2C3CC4C2C2C1C3C4C21CO1
InChIInChI=1S/C12H14O/c1-4-5-2-7-8(4)10-6(1)9(5)11(7)12(10)3-13-12/h4-11H,1-3H2
InChIKeyVZMFKLLYFNWTGE-UHFFFAOYSA-N
XLogP1.53
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]?
The IUPAC name of spiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane] (CID 73357626) is spiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane].
What is the SMILES notation for spiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]?
The canonical SMILES for spiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane] is C1C2C3CC4C2C2C1C3C4C21CO1.
What is the InChIKey of spiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]?
The InChIKey is VZMFKLLYFNWTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-4-5-2-7-8(4)10-6(1)9(5)11(7)12(10)3-13-12/h4-11H,1-3H2.
What are the key properties of spiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]?
spiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane] has a molecular weight of 174.24 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[oxirane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane] is sourced from PubChem (CID 73357626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).