bicyclo[3.3.2]dec-9-ene-9-carbaldehyde

C11H16O — CID 14961885

IUPACbicyclo[3.3.2]dec-9-ene-9-carbaldehyde
SMILESO=CC1=CC2CCCC1CCC2
InChIInChI=1S/C11H16O/c12-8-11-7-9-3-1-5-10(11)6-2-4-9/h7-10H,1-6H2
InChIKeyDGRXFGWRNAEEPV-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.71
Rot. Bonds1

About bicyclo[3.3.2]dec-9-ene-9-carbaldehyde

bicyclo[3.3.2]dec-9-ene-9-carbaldehyde (PubChem CID 14961885) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is bicyclo[3.3.2]dec-9-ene-9-carbaldehyde.

Molecular Properties

Compound Namebicyclo[3.3.2]dec-9-ene-9-carbaldehyde
PubChem CID14961885
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Namebicyclo[3.3.2]dec-9-ene-9-carbaldehyde
SMILESO=CC1=CC2CCCC1CCC2
InChIInChI=1S/C11H16O/c12-8-11-7-9-3-1-5-10(11)6-2-4-9/h7-10H,1-6H2
InChIKeyDGRXFGWRNAEEPV-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,4S)-bicyclo[2.2.1]hept-2-ene-2-carbaldehyde
CID 91217973
1-azabicyclo[2.2.2]oct-2-ene-3-carbaldehyde
CID 15718161
4-cycloheptylbenzaldehyde
CID 21484445
4-cyclooctylbenzaldehyde
CID 12923818
2-(4-cyclobutylphenyl)-2-hydroxypropanal
CID 116505401
2-cyclopentylpyrimidine-5-carbaldehyde
CID 58228458
7,7-dimethylbicyclo[2.2.1]hept-2-ene-2-carbaldehyde
CID 14342390
(3aR,7aS)-2,3,3a,7a-tetrahydro-1H-indene-4-carbaldehyde
CID 24756256
(5S)-bicyclo[3.2.1]oct-1(8)-ene
CID 154518637
4-cyclohexylfuran-2-carbaldehyde;ethane
CID 142856925
2,3,5,6,7,7a-hexahydro-1H-indene-4-carbaldehyde
CID 141417454
(5S)-5-methylcyclopentene-1-carbaldehyde
CID 101259456

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.3.2]dec-9-ene-9-carbaldehyde?
The IUPAC name of bicyclo[3.3.2]dec-9-ene-9-carbaldehyde (CID 14961885) is bicyclo[3.3.2]dec-9-ene-9-carbaldehyde.
What is the SMILES notation for bicyclo[3.3.2]dec-9-ene-9-carbaldehyde?
The canonical SMILES for bicyclo[3.3.2]dec-9-ene-9-carbaldehyde is O=CC1=CC2CCCC1CCC2.
What is the InChIKey of bicyclo[3.3.2]dec-9-ene-9-carbaldehyde?
The InChIKey is DGRXFGWRNAEEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c12-8-11-7-9-3-1-5-10(11)6-2-4-9/h7-10H,1-6H2.
What are the key properties of bicyclo[3.3.2]dec-9-ene-9-carbaldehyde?
bicyclo[3.3.2]dec-9-ene-9-carbaldehyde has a molecular weight of 164.25 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.3.2]dec-9-ene-9-carbaldehyde is sourced from PubChem (CID 14961885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).