5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one

C23H38O6 — CID 560606

IUPAC5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one
SMILESCOCCOCOC1CCC2C3C(=O)OC4(CC(C)CCC4C(C)C)OC3(C)C12
InChIInChI=1S/C23H38O6/c1-14(2)17-8-6-15(3)12-23(17)28-21(24)20-16-7-9-18(19(16)22(20,4)29-23)27-13-26-11-10-25-5/h14-20H,6-13H2,1-5H3
InChIKeyXOUKRRUCPMXLNT-UHFFFAOYSA-N
MW410.55 g/mol
LogP3.77
Rot. Bonds7

About 5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one

5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one (PubChem CID 560606) has the molecular formula C23H38O6 and a molecular weight of 410.55 g/mol. Its IUPAC name is 5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one.

Molecular Properties

Compound Name5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one
PubChem CID560606
Molecular FormulaC23H38O6
Molecular Weight410.55 g/mol
Exact Mass410.27
IUPAC Name5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one
SMILESCOCCOCOC1CCC2C3C(=O)OC4(CC(C)CCC4C(C)C)OC3(C)C12
InChIInChI=1S/C23H38O6/c1-14(2)17-8-6-15(3)12-23(17)28-21(24)20-16-7-9-18(19(16)22(20,4)29-23)27-13-26-11-10-25-5/h14-20H,6-13H2,1-5H3
InChIKeyXOUKRRUCPMXLNT-UHFFFAOYSA-N
XLogP3.77
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one?
The IUPAC name of 5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one (CID 560606) is 5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one.
What is the SMILES notation for 5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one?
The canonical SMILES for 5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one is COCCOCOC1CCC2C3C(=O)OC4(CC(C)CCC4C(C)C)OC3(C)C12.
What is the InChIKey of 5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one?
The InChIKey is XOUKRRUCPMXLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O6/c1-14(2)17-8-6-15(3)12-23(17)28-21(24)20-16-7-9-18(19(16)22(20,4)29-23)27-13-26-11-10-25-5/h14-20H,6-13H2,1-5H3.
What are the key properties of 5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one?
5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one has a molecular weight of 410.55 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxymethoxy)-5',7-dimethyl-2'-propan-2-ylspiro[8,10-dioxatricyclo[5.4.0.02,6]undecane-9,1'-cyclohexane]-11-one is sourced from PubChem (CID 560606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).