(1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one

C8H10O3 — CID 146664050

IUPAC(1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one
SMILESO=C1OC[C@]23CC[C@H](CC12)O3
InChIInChI=1S/C8H10O3/c9-7-6-3-5-1-2-8(6,11-5)4-10-7/h5-6H,1-4H2/t5-,6?,8-/m1/s1
InChIKeyFAOBRYMLFHGWIL-ONHAXZMJSA-N
MW154.16 g/mol
LogP0.48
Rot. Bonds

About (1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one

(1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one (PubChem CID 146664050) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one.

Molecular Properties

Compound Name(1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one
PubChem CID146664050
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one
SMILESO=C1OC[C@]23CC[C@H](CC12)O3
InChIInChI=1S/C8H10O3/c9-7-6-3-5-1-2-8(6,11-5)4-10-7/h5-6H,1-4H2/t5-,6?,8-/m1/s1
InChIKeyFAOBRYMLFHGWIL-ONHAXZMJSA-N
XLogP0.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one?
The IUPAC name of (1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one (CID 146664050) is (1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one.
What is the SMILES notation for (1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one?
The canonical SMILES for (1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one is O=C1OC[C@]23CC[C@H](CC12)O3.
What is the InChIKey of (1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one?
The InChIKey is FAOBRYMLFHGWIL-ONHAXZMJSA-N. The full InChI is InChI=1S/C8H10O3/c9-7-6-3-5-1-2-8(6,11-5)4-10-7/h5-6H,1-4H2/t5-,6?,8-/m1/s1.
What are the key properties of (1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one?
(1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one has a molecular weight of 154.16 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R)-3,10-dioxatricyclo[5.2.1.01,5]decan-4-one is sourced from PubChem (CID 146664050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).