(1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde

C14H12O — CID 11830355

IUPAC(1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde
SMILESO=CC1[C@@H]2[C@H]1[C@@H]1C=C[C@H]2c2ccccc21
InChIInChI=1S/C14H12O/c15-7-12-13-10-5-6-11(14(12)13)9-4-2-1-3-8(9)10/h1-7,10-14H/t10-,11+,12?,13+,14-
InChIKeyFJGYEERWACZBNH-IYHQDGGJSA-N
MW196.25 g/mol
LogP2.50
Rot. Bonds1

About (1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde

(1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde (PubChem CID 11830355) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is (1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde.

Molecular Properties

Compound Name(1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde
PubChem CID11830355
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name(1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde
SMILESO=CC1[C@@H]2[C@H]1[C@@H]1C=C[C@H]2c2ccccc21
InChIInChI=1S/C14H12O/c15-7-12-13-10-5-6-11(14(12)13)9-4-2-1-3-8(9)10/h1-7,10-14H/t10-,11+,12?,13+,14-
InChIKeyFJGYEERWACZBNH-IYHQDGGJSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.50
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 (1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde?
The IUPAC name of (1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde (CID 11830355) is (1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde.
What is the SMILES notation for (1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde?
The canonical SMILES for (1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde is O=CC1[C@@H]2[C@H]1[C@@H]1C=C[C@H]2c2ccccc21.
What is the InChIKey of (1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde?
The InChIKey is FJGYEERWACZBNH-IYHQDGGJSA-N. The full InChI is InChI=1S/C14H12O/c15-7-12-13-10-5-6-11(14(12)13)9-4-2-1-3-8(9)10/h1-7,10-14H/t10-,11+,12?,13+,14-.
What are the key properties of (1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde?
(1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde has a molecular weight of 196.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde is sourced from PubChem (CID 11830355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).