11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane

C15H24O3 — CID 14738888

IUPAC11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane
SMILESC=C1CC2(CCCCC2)OC12OCC(C)(C)CO2
InChIInChI=1S/C15H24O3/c1-12-9-14(7-5-4-6-8-14)18-15(12)16-10-13(2,3)11-17-15/h1,4-11H2,2-3H3
InChIKeyZFVFIJBXXUKGNE-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.39
Rot. Bonds

About 11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane

11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane (PubChem CID 14738888) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane.

Molecular Properties

Compound Name11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane
PubChem CID14738888
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane
SMILESC=C1CC2(CCCCC2)OC12OCC(C)(C)CO2
InChIInChI=1S/C15H24O3/c1-12-9-14(7-5-4-6-8-14)18-15(12)16-10-13(2,3)11-17-15/h1,4-11H2,2-3H3
InChIKeyZFVFIJBXXUKGNE-UHFFFAOYSA-N
XLogP3.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane?
The IUPAC name of 11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane (CID 14738888) is 11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane.
What is the SMILES notation for 11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane?
The canonical SMILES for 11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane is C=C1CC2(CCCCC2)OC12OCC(C)(C)CO2.
What is the InChIKey of 11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane?
The InChIKey is ZFVFIJBXXUKGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-12-9-14(7-5-4-6-8-14)18-15(12)16-10-13(2,3)11-17-15/h1,4-11H2,2-3H3.
What are the key properties of 11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane?
11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane has a molecular weight of 252.35 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-14-methylidene-7,9,13-trioxadispiro[5.1.58.26]pentadecane is sourced from PubChem (CID 14738888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).