2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane

C15H22O3 — CID 85248081

IUPAC2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
SMILESCC1(C)OCC(CCOCc2ccccc2)CO1
InChIInChI=1S/C15H22O3/c1-15(2)17-11-14(12-18-15)8-9-16-10-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyUKGNDJBWLXVFNY-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.99
Rot. Bonds5

About 2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane

2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane (PubChem CID 85248081) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
PubChem CID85248081
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane
SMILESCC1(C)OCC(CCOCc2ccccc2)CO1
InChIInChI=1S/C15H22O3/c1-15(2)17-11-14(12-18-15)8-9-16-10-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyUKGNDJBWLXVFNY-UHFFFAOYSA-N
XLogP2.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzaldehyde dimethyl acetal
CID 62375
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
Benzaldehyde propylene glycol acetal
CID 595928
(Diethoxymethyl)benzene
CID 69884
1,3-Dioxan-5-ol, 2-phenyl-
CID 74362
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
Benzyl octyl ether
CID 347508
Benzene, (1-ethoxyethyl)-
CID 18693
Isoamyl benzyl ether
CID 31227
4-Phenyl-1,3-dioxane
CID 92840
Mono-o-benzylidinepentaerythritol
CID 17042

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane?
The IUPAC name of 2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane (CID 85248081) is 2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane.
What is the SMILES notation for 2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane?
The canonical SMILES for 2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane is CC1(C)OCC(CCOCc2ccccc2)CO1.
What is the InChIKey of 2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane?
The InChIKey is UKGNDJBWLXVFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(2)17-11-14(12-18-15)8-9-16-10-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane?
2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane has a molecular weight of 250.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-phenylmethoxyethyl)-1,3-dioxane is sourced from PubChem (CID 85248081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).