7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane

C21H20O — CID 90482173

IUPAC7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane
SMILESCC1(C)C2(c3ccccc3)C3C4OC4C3C12c1ccccc1
InChIInChI=1S/C21H20O/c1-19(2)20(13-9-5-3-6-10-13)15-16(18-17(15)22-18)21(19,20)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3
InChIKeyXUXASCGAKCXBGC-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.93
Rot. Bonds2

About 7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane

7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane (PubChem CID 90482173) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane.

Molecular Properties

Compound Name7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane
PubChem CID90482173
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane
SMILESCC1(C)C2(c3ccccc3)C3C4OC4C3C12c1ccccc1
InChIInChI=1S/C21H20O/c1-19(2)20(13-9-5-3-6-10-13)15-16(18-17(15)22-18)21(19,20)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3
InChIKeyXUXASCGAKCXBGC-UHFFFAOYSA-N
XLogP3.93
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane?
The IUPAC name of 7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane (CID 90482173) is 7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane.
What is the SMILES notation for 7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane?
The canonical SMILES for 7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane is CC1(C)C2(c3ccccc3)C3C4OC4C3C12c1ccccc1.
What is the InChIKey of 7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane?
The InChIKey is XUXASCGAKCXBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-19(2)20(13-9-5-3-6-10-13)15-16(18-17(15)22-18)21(19,20)14-11-7-4-8-12-14/h3-12,15-18H,1-2H3.
What are the key properties of 7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane?
7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane has a molecular weight of 288.39 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6,8-diphenyl-3-oxatetracyclo[3.3.0.02,4.06,8]octane is sourced from PubChem (CID 90482173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).