(1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one

C10H10O2 — CID 55250645

IUPAC(1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESO=C1C=C(O)C2C1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C10H10O2/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10/h1-2,4-6,9-11H,3H2/t5-,6+,9?,10?/m0/s1
InChIKeyFJTCWKUCNYGDQY-VUJPYCBQSA-N
MW162.19 g/mol
LogP1.45
Rot. Bonds

About (1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one

(1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one (PubChem CID 55250645) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one.

Molecular Properties

Compound Name(1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one
PubChem CID55250645
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESO=C1C=C(O)C2C1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C10H10O2/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10/h1-2,4-6,9-11H,3H2/t5-,6+,9?,10?/m0/s1
InChIKeyFJTCWKUCNYGDQY-VUJPYCBQSA-N
XLogP1.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The IUPAC name of (1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one (CID 55250645) is (1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one.
What is the SMILES notation for (1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The canonical SMILES for (1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one is O=C1C=C(O)C2C1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The InChIKey is FJTCWKUCNYGDQY-VUJPYCBQSA-N. The full InChI is InChI=1S/C10H10O2/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10/h1-2,4-6,9-11H,3H2/t5-,6+,9?,10?/m0/s1.
What are the key properties of (1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
(1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one has a molecular weight of 162.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R)-5-hydroxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one is sourced from PubChem (CID 55250645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).