2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane]

C10H16O — CID 6454379

IUPAC2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane]
SMILESCC1(C)C2CCC(C2)C12CO2
InChIInChI=1S/C10H16O/c1-9(2)7-3-4-8(5-7)10(9)6-11-10/h7-8H,3-6H2,1-2H3
InChIKeyISNKNHAUYOWDHN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.21
Rot. Bonds

About 2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane]

2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane] (PubChem CID 6454379) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane].

Molecular Properties

Compound Name2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane]
PubChem CID6454379
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane]
SMILESCC1(C)C2CCC(C2)C12CO2
InChIInChI=1S/C10H16O/c1-9(2)7-3-4-8(5-7)10(9)6-11-10/h7-8H,3-6H2,1-2H3
InChIKeyISNKNHAUYOWDHN-UHFFFAOYSA-N
XLogP2.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.21
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 2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane]?
The IUPAC name of 2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane] (CID 6454379) is 2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane].
What is the SMILES notation for 2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane]?
The canonical SMILES for 2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane] is CC1(C)C2CCC(C2)C12CO2.
What is the InChIKey of 2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane]?
The InChIKey is ISNKNHAUYOWDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)7-3-4-8(5-7)10(9)6-11-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane]?
2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane] has a molecular weight of 152.24 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane] is sourced from PubChem (CID 6454379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).