9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane

C15H18O2 — CID 169493000

IUPAC9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane
SMILESc1ccc(CC2OC3CC4CCCC42O3)cc1
InChIInChI=1S/C15H18O2/c1-2-5-11(6-3-1)9-13-15-8-4-7-12(15)10-14(16-13)17-15/h1-3,5-6,12-14H,4,7-10H2
InChIKeyDGHHEXDFCXZJIY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.91
Rot. Bonds2

About 9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane

9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane (PubChem CID 169493000) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane.

Molecular Properties

Compound Name9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane
PubChem CID169493000
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane
SMILESc1ccc(CC2OC3CC4CCCC42O3)cc1
InChIInChI=1S/C15H18O2/c1-2-5-11(6-3-1)9-13-15-8-4-7-12(15)10-14(16-13)17-15/h1-3,5-6,12-14H,4,7-10H2
InChIKeyDGHHEXDFCXZJIY-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane?
The IUPAC name of 9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane (CID 169493000) is 9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane.
What is the SMILES notation for 9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane?
The canonical SMILES for 9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane is c1ccc(CC2OC3CC4CCCC42O3)cc1.
What is the InChIKey of 9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane?
The InChIKey is DGHHEXDFCXZJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-5-11(6-3-1)9-13-15-8-4-7-12(15)10-14(16-13)17-15/h1-3,5-6,12-14H,4,7-10H2.
What are the key properties of 9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane?
9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane has a molecular weight of 230.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-8,10-dioxatricyclo[5.2.1.01,5]decane is sourced from PubChem (CID 169493000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).