4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane

C11H12O2 — CID 10773606

IUPAC4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane
SMILESCC1(c2ccccc2)COC12CO2
InChIInChI=1S/C11H12O2/c1-10(7-12-11(10)8-13-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyKCNKSKZHRIKLSR-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.70
Rot. Bonds1

About 4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane

4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane (PubChem CID 10773606) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane.

Molecular Properties

Compound Name4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane
PubChem CID10773606
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane
SMILESCC1(c2ccccc2)COC12CO2
InChIInChI=1S/C11H12O2/c1-10(7-12-11(10)8-13-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyKCNKSKZHRIKLSR-UHFFFAOYSA-N
XLogP1.70
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methyl-2-phenyloxirane
CID 11629614
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
2,2-dimethyl-3-phenyloxetan-3-ol
CID 121217401
2-methyl-2-phenyl-1,4-dioxane
CID 154111008
5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane
CID 15341678
2,2-dimethyloxirane;naphthalene
CID 175358693
1-(5-methyl-2,2-diphenyl-1,3-dioxan-5-yl)ethanone
CID 90221549
(1S,2R,5S,6R)-2,6-diethoxy-1,5-dimethyl-2,6-diphenyl-3,7-dioxabicyclo[3.3.1]nonane
CID 101398010
trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol
CID 175816739

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane?
The IUPAC name of 4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane (CID 10773606) is 4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane.
What is the SMILES notation for 4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane?
The canonical SMILES for 4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane is CC1(c2ccccc2)COC12CO2.
What is the InChIKey of 4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane?
The InChIKey is KCNKSKZHRIKLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-10(7-12-11(10)8-13-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane?
4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane has a molecular weight of 176.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenyl-1,6-dioxaspiro[2.3]hexane is sourced from PubChem (CID 10773606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).