6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one

C15H18O4 — CID 11586996

IUPAC6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one
SMILESCC1(O)OOC(c2ccccc2)CC12CCCC2=O
InChIInChI=1S/C15H18O4/c1-14(17)15(9-5-8-13(15)16)10-12(18-19-14)11-6-3-2-4-7-11/h2-4,6-7,12,17H,5,8-10H2,1H3
InChIKeyJEXCRAFNVCGYEQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.53
Rot. Bonds1

About 6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one

6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one (PubChem CID 11586996) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one
PubChem CID11586996
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one
SMILESCC1(O)OOC(c2ccccc2)CC12CCCC2=O
InChIInChI=1S/C15H18O4/c1-14(17)15(9-5-8-13(15)16)10-12(18-19-14)11-6-3-2-4-7-11/h2-4,6-7,12,17H,5,8-10H2,1H3
InChIKeyJEXCRAFNVCGYEQ-UHFFFAOYSA-N
XLogP2.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Hydroxy-2-methyl-1-phenyl-3-pentanone
CID 546017
2-Butanone, 4-hydroxy-3,3-dimethyl-4-phenyl-
CID 559566
(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopentan-1-one
CID 10726352
(1R)-1-hydroxy-4-methyl-1-phenylpentan-3-one
CID 10726408
(1S)-1-hydroxy-4,4-dimethyl-1-phenylpentan-3-one
CID 12036149
1-Hydroxy-4-methyl-1-phenylpentan-3-one
CID 13168616
(1S)-1-hydroxy-4-methyl-1-phenylpentan-3-one
CID 13168617
1-(3-Hydroxy-3,4-dimethyl-6,6-diphenyldioxan-4-yl)ethanone
CID 14983159
2-(Hydroxy(phenyl)methyl)-2-methylcyclohexanone
CID 131538
1-Pentanone,1-(1-[hydroxy(phenyl)methyl]cyclobutyl])
CID 557977
3-(Hydroxy-phenyl-methyl)-2,3-dimethyl-octan-4-one
CID 559104
1-[1-(Hydroxy-phenyl-methyl)-cyclopentyl]-2-phenyl-ethanone
CID 561518

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one?
The IUPAC name of 6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one (CID 11586996) is 6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one.
What is the SMILES notation for 6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one?
The canonical SMILES for 6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one is CC1(O)OOC(c2ccccc2)CC12CCCC2=O.
What is the InChIKey of 6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one?
The InChIKey is JEXCRAFNVCGYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-14(17)15(9-5-8-13(15)16)10-12(18-19-14)11-6-3-2-4-7-11/h2-4,6-7,12,17H,5,8-10H2,1H3.
What are the key properties of 6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one?
6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one has a molecular weight of 262.31 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-methyl-9-phenyl-7,8-dioxaspiro[4.5]decan-4-one is sourced from PubChem (CID 11586996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).