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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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).