tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde

C17H16O — CID 101344698

IUPACtricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)CCc1ccccc1CC2
InChIInChI=1S/C17H16O/c18-12-13-5-6-16-8-7-14-3-1-2-4-15(14)9-10-17(16)11-13/h1-6,11-12H,7-10H2
InChIKeyNCFSHSDRFSOSCJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.38
Rot. Bonds1

About tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde

tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde (PubChem CID 101344698) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde.

Molecular Properties

Compound Nametricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde
PubChem CID101344698
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Nametricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)CCc1ccccc1CC2
InChIInChI=1S/C17H16O/c18-12-13-5-6-16-8-7-14-3-1-2-4-15(14)9-10-17(16)11-13/h1-6,11-12H,7-10H2
InChIKeyNCFSHSDRFSOSCJ-UHFFFAOYSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 71332157
3,4-dihydro-1H-isochromene-7-carbaldehyde
CID 82415325
2-ethyl-1,3-dihydroisoindole-5-carbaldehyde
CID 84717608
9H-fluorene-2-carbaldehyde;N-methylhydroxylamine
CID 156719252
3-[(1Z,3Z)-4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)buta-1,3-dienyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 58696689
4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde
CID 54910359
2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene
CID 54058053
6-benzyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 14155579
2-trityl-3,4-dihydro-1H-isoquinoline-6-carbaldehyde
CID 165406280
4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde
CID 19030131
tert-butyl carbamate;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 143068294
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
CID 23433219

Frequently Asked Questions

What is the IUPAC name of tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde?
The IUPAC name of tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde (CID 101344698) is tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde.
What is the SMILES notation for tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde?
The canonical SMILES for tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde is O=Cc1ccc2c(c1)CCc1ccccc1CC2.
What is the InChIKey of tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde?
The InChIKey is NCFSHSDRFSOSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c18-12-13-5-6-16-8-7-14-3-1-2-4-15(14)9-10-17(16)11-13/h1-6,11-12H,7-10H2.
What are the key properties of tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde?
tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde has a molecular weight of 236.31 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde is sourced from PubChem (CID 101344698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).