(3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde

C11H10O — CID 155093037

IUPAC(3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde
SMILESO=C[C@H]1CCC2=C3C=CC(=C21)C3
InChIInChI=1S/C11H10O/c12-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h1-2,6,9H,3-5H2/t9-/m1/s1
InChIKeyPIVHUAFNGNQSFD-SECBINFHSA-N
MW158.20 g/mol
LogP2.16
Rot. Bonds1

About (3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde

(3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde (PubChem CID 155093037) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is (3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde.

Molecular Properties

Compound Name(3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde
PubChem CID155093037
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name(3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde
SMILESO=C[C@H]1CCC2=C3C=CC(=C21)C3
InChIInChI=1S/C11H10O/c12-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h1-2,6,9H,3-5H2/t9-/m1/s1
InChIKeyPIVHUAFNGNQSFD-SECBINFHSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde?
The IUPAC name of (3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde (CID 155093037) is (3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde.
What is the SMILES notation for (3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde?
The canonical SMILES for (3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde is O=C[C@H]1CCC2=C3C=CC(=C21)C3.
What is the InChIKey of (3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde?
The InChIKey is PIVHUAFNGNQSFD-SECBINFHSA-N. The full InChI is InChI=1S/C11H10O/c12-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h1-2,6,9H,3-5H2/t9-/m1/s1.
What are the key properties of (3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde?
(3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde has a molecular weight of 158.20 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde is sourced from PubChem (CID 155093037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).