5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane

C14H18O2 — CID 14545113

IUPAC5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane
SMILESCC12CCCC(O1)C(C)(c1ccccc1)O2
InChIInChI=1S/C14H18O2/c1-13-10-6-9-12(15-13)14(2,16-13)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyHDSIJJQKDYURHY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.22
Rot. Bonds1

About 5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane

5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane (PubChem CID 14545113) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane
PubChem CID14545113
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane
SMILESCC12CCCC(O1)C(C)(c1ccccc1)O2
InChIInChI=1S/C14H18O2/c1-13-10-6-9-12(15-13)14(2,16-13)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyHDSIJJQKDYURHY-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane?
The IUPAC name of 5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane (CID 14545113) is 5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for 5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane?
The canonical SMILES for 5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane is CC12CCCC(O1)C(C)(c1ccccc1)O2.
What is the InChIKey of 5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane?
The InChIKey is HDSIJJQKDYURHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-13-10-6-9-12(15-13)14(2,16-13)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3.
What are the key properties of 5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane?
5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane has a molecular weight of 218.30 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 14545113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).