2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol

C15H24O3 — CID 11586886

IUPAC2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol
SMILESCC(C)C1CC23OC1(O)CC1(CO1)C2CCC3C
InChIInChI=1S/C15H24O3/c1-9(2)11-6-14-10(3)4-5-12(14)13(8-17-13)7-15(11,16)18-14/h9-12,16H,4-8H2,1-3H3
InChIKeyQTNJDICOPKJZTI-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.33
Rot. Bonds1

About 2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol

2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol (PubChem CID 11586886) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol.

Molecular Properties

Compound Name2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol
PubChem CID11586886
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol
SMILESCC(C)C1CC23OC1(O)CC1(CO1)C2CCC3C
InChIInChI=1S/C15H24O3/c1-9(2)11-6-14-10(3)4-5-12(14)13(8-17-13)7-15(11,16)18-14/h9-12,16H,4-8H2,1-3H3
InChIKeyQTNJDICOPKJZTI-UHFFFAOYSA-N
XLogP2.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol?
The IUPAC name of 2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol (CID 11586886) is 2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol.
What is the SMILES notation for 2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol?
The canonical SMILES for 2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol is CC(C)C1CC23OC1(O)CC1(CO1)C2CCC3C.
What is the InChIKey of 2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol?
The InChIKey is QTNJDICOPKJZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-9(2)11-6-14-10(3)4-5-12(14)13(8-17-13)7-15(11,16)18-14/h9-12,16H,4-8H2,1-3H3.
What are the key properties of 2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol?
2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol has a molecular weight of 252.35 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-propan-2-ylspiro[11-oxatricyclo[6.2.1.01,5]undecane-6,2'-oxirane]-8-ol is sourced from PubChem (CID 11586886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).