(1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one

C10H14O — CID 639161

IUPAC(1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one
SMILESO=C1C[C@H]2C[C@@H]1[C@@H]1CCC[C@H]21
InChIInChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2/t6-,7-,8-,9-/m1/s1
InChIKeyOMIDXVJKZCPKEI-FNCVBFRFSA-N
MW150.22 g/mol
LogP2.01
Rot. Bonds

About (1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one

(1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one (PubChem CID 639161) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one.

Molecular Properties

Compound Name(1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one
PubChem CID639161
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one
SMILESO=C1C[C@H]2C[C@@H]1[C@@H]1CCC[C@H]21
InChIInChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2/t6-,7-,8-,9-/m1/s1
InChIKeyOMIDXVJKZCPKEI-FNCVBFRFSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one?
The IUPAC name of (1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one (CID 639161) is (1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one.
What is the SMILES notation for (1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one?
The canonical SMILES for (1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one is O=C1C[C@H]2C[C@@H]1[C@@H]1CCC[C@H]21.
What is the InChIKey of (1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one?
The InChIKey is OMIDXVJKZCPKEI-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-9H,1-5H2/t6-,7-,8-,9-/m1/s1.
What are the key properties of (1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one?
(1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one has a molecular weight of 150.22 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,7R)-tricyclo[5.2.1.02,6]decan-8-one is sourced from PubChem (CID 639161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).