(1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde

C11H14O — CID 13013879

IUPAC(1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde
SMILESO=C[C@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]21
InChIInChI=1S/C11H14O/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10/h1-2,6-11H,3-5H2/t7-,8+,9-,10-,11-/m0/s1
InChIKeyURKXHWZQKOOULP-SSRBZLIGSA-N
MW162.23 g/mol
LogP2.03
Rot. Bonds1

About (1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde

(1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde (PubChem CID 13013879) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde.

Molecular Properties

Compound Name(1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde
PubChem CID13013879
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde
SMILESO=C[C@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]21
InChIInChI=1S/C11H14O/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10/h1-2,6-11H,3-5H2/t7-,8+,9-,10-,11-/m0/s1
InChIKeyURKXHWZQKOOULP-SSRBZLIGSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde?
The IUPAC name of (1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde (CID 13013879) is (1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde.
What is the SMILES notation for (1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde?
The canonical SMILES for (1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde is O=C[C@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]21.
What is the InChIKey of (1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde?
The InChIKey is URKXHWZQKOOULP-SSRBZLIGSA-N. The full InChI is InChI=1S/C11H14O/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10/h1-2,6-11H,3-5H2/t7-,8+,9-,10-,11-/m0/s1.
What are the key properties of (1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde?
(1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde has a molecular weight of 162.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde is sourced from PubChem (CID 13013879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).