12-methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene

C15H24O2 — CID 23827218

IUPAC12-methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene
SMILESCC1=CCC2(CC1)OCC1(CCCCC1)CO2
InChIInChI=1S/C15H24O2/c1-13-5-9-15(10-6-13)16-11-14(12-17-15)7-3-2-4-8-14/h5H,2-4,6-12H2,1H3
InChIKeyGBZAUVXGAANGRV-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.81
Rot. Bonds

About 12-methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene

12-methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene (PubChem CID 23827218) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 12-methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene.

Molecular Properties

Compound Name12-methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene
PubChem CID23827218
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name12-methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene
SMILESCC1=CCC2(CC1)OCC1(CCCCC1)CO2
InChIInChI=1S/C15H24O2/c1-13-5-9-15(10-6-13)16-11-14(12-17-15)7-3-2-4-8-14/h5H,2-4,6-12H2,1H3
InChIKeyGBZAUVXGAANGRV-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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Related Compounds

2-(3,3-Dimethyl-1-cyclohexen-1-yl)-2,5,5-trimethyl-1,3-dioxane
CID 132165004
3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 764102
(4S)-4-[(E)-3-ethyl-2-methylpent-3-en-2-yl]-2,2-dimethyl-1,3-dioxane
CID 11746336
(11R)-3,3,10,11-tetramethyl-1,5-dioxaspiro[5.5]undec-9-ene
CID 14216775
(4aR,8aR)-6-cyclohexa-1,3-dien-1-yl-2,2,4a-trimethyl-4,7,8,8a-tetrahydro-1,3-benzodioxine
CID 134981863
9,11,13-Trimethyl-6,15-dioxadispiro[4.2.5^{8}.2^{5}]pentadec-11-ene
CID 2855764
7,9,11-Trimethyl-3-propyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 3115148
9-Methyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 910051
3,9-Dimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 5244370
5-Butan-2-yl-2-(3,5-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane
CID 19803356
5-Butan-2-yl-2-(2,4-dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-1,3-dioxane
CID 19803362
2-(3,5-Dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane
CID 19803370

Frequently Asked Questions

What is the IUPAC name of 12-methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene?
The IUPAC name of 12-methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene (CID 23827218) is 12-methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene.
What is the SMILES notation for 12-methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene?
The canonical SMILES for 12-methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene is CC1=CCC2(CC1)OCC1(CCCCC1)CO2.
What is the InChIKey of 12-methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene?
The InChIKey is GBZAUVXGAANGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-13-5-9-15(10-6-13)16-11-14(12-17-15)7-3-2-4-8-14/h5H,2-4,6-12H2,1H3.
What are the key properties of 12-methyl-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene?
12-methyl-8,15-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-8,15-dioxadispiro[5.2.59.26]hexadec-12-ene is sourced from PubChem (CID 23827218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).