12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene

C15H24O2 — CID 910959

IUPAC12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene
SMILESCC1=CCC2(CC1)COC1(CCCCC1)OC2
InChIInChI=1S/C15H24O2/c1-13-5-9-14(10-6-13)11-16-15(17-12-14)7-3-2-4-8-15/h5H,2-4,6-12H2,1H3
InChIKeyJHILZWZBXBADLX-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.81
Rot. Bonds

About 12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene

12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene (PubChem CID 910959) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene.

Molecular Properties

Compound Name12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene
PubChem CID910959
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene
SMILESCC1=CCC2(CC1)COC1(CCCCC1)OC2
InChIInChI=1S/C15H24O2/c1-13-5-9-14(10-6-13)11-16-15(17-12-14)7-3-2-4-8-15/h5H,2-4,6-12H2,1H3
InChIKeyJHILZWZBXBADLX-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene?
The IUPAC name of 12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene (CID 910959) is 12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene.
What is the SMILES notation for 12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene?
The canonical SMILES for 12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene is CC1=CCC2(CC1)COC1(CCCCC1)OC2.
What is the InChIKey of 12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene?
The InChIKey is JHILZWZBXBADLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-13-5-9-14(10-6-13)11-16-15(17-12-14)7-3-2-4-8-15/h5H,2-4,6-12H2,1H3.
What are the key properties of 12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene?
12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene has a molecular weight of 236.35 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-7,16-dioxadispiro[5.2.59.26]hexadec-12-ene is sourced from PubChem (CID 910959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).