3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane]

C14H20O2 — CID 13300112

IUPAC3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane]
SMILESC=CC1(OC)OC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H20O2/c1-3-13(15-2)14(16-13)11-5-9-4-10(7-11)8-12(14)6-9/h3,9-12H,1,4-8H2,2H3
InChIKeyMWCXYDDWQLGXDJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.74
Rot. Bonds2

About 3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane]

3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane] (PubChem CID 13300112) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane].

Molecular Properties

Compound Name3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane]
PubChem CID13300112
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane]
SMILESC=CC1(OC)OC12C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H20O2/c1-3-13(15-2)14(16-13)11-5-9-4-10(7-11)8-12(14)6-9/h3,9-12H,1,4-8H2,2H3
InChIKeyMWCXYDDWQLGXDJ-UHFFFAOYSA-N
XLogP2.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane]?
The IUPAC name of 3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane] (CID 13300112) is 3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane].
What is the SMILES notation for 3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane]?
The canonical SMILES for 3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane] is C=CC1(OC)OC12C1CC3CC(C1)CC2C3.
What is the InChIKey of 3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane]?
The InChIKey is MWCXYDDWQLGXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-13(15-2)14(16-13)11-5-9-4-10(7-11)8-12(14)6-9/h3,9-12H,1,4-8H2,2H3.
What are the key properties of 3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane]?
3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane] has a molecular weight of 220.31 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-ethenyl-3'-methoxyspiro[adamantane-2,2'-oxirane] is sourced from PubChem (CID 13300112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).