6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane

C15H20O2 — CID 71383959

IUPAC6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane
SMILESCC1CCCCC12OCC(c1ccccc1)O2
InChIInChI=1S/C15H20O2/c1-12-7-5-6-10-15(12)16-11-14(17-15)13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3
InChIKeyVDHOJIYJIBOPCR-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.68
Rot. Bonds1

About 6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane

6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane (PubChem CID 71383959) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane
PubChem CID71383959
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane
SMILESCC1CCCCC12OCC(c1ccccc1)O2
InChIInChI=1S/C15H20O2/c1-12-7-5-6-10-15(12)16-11-14(17-15)13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3
InChIKeyVDHOJIYJIBOPCR-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 230525
Benzaldehyde propylene glycol acetal
CID 595928
(Diethoxymethyl)benzene
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1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
Bis(1-phenylethyl) ether
CID 62342
2-Phenylpropanal propylene glycol acetal
CID 236687
2,5,5-Trimethyl-2-phenyl-1,3-dioxane
CID 79409
4-Phenyl-1,3-dioxane
CID 92840
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-
CID 107381
4-Methylbenzaldehyde propyleneglycol acetal
CID 94001
2-Phenyl-1,3-dioxolane
CID 70293

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane (CID 71383959) is 6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane is CC1CCCCC12OCC(c1ccccc1)O2.
What is the InChIKey of 6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is VDHOJIYJIBOPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-12-7-5-6-10-15(12)16-11-14(17-15)13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3.
What are the key properties of 6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane?
6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 232.32 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 71383959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).