bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde

C13H10O2 — CID 13495838

IUPACbicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde
SMILESO=CC1=CC=C(C=O)C2=CC=CC=C1C2
InChIInChI=1S/C13H10O2/c14-8-12-5-6-13(9-15)11-4-2-1-3-10(12)7-11/h1-6,8-9H,7H2
InChIKeyNBOLVFAUWGLJNZ-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.06
Rot. Bonds2

About bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde

bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde (PubChem CID 13495838) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde.

Molecular Properties

Compound Namebicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde
PubChem CID13495838
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Namebicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde
SMILESO=CC1=CC=C(C=O)C2=CC=CC=C1C2
InChIInChI=1S/C13H10O2/c14-8-12-5-6-13(9-15)11-4-2-1-3-10(12)7-11/h1-6,8-9H,7H2
InChIKeyNBOLVFAUWGLJNZ-UHFFFAOYSA-N
XLogP2.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxybicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2-carbaldehyde
CID 13396353
5-[(2-methylpropan-2-yl)oxy]bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2-carbaldehyde
CID 13396347
6-methylidenecyclohexa-1,3-diene-1-carbaldehyde
CID 22726424
5-sulfanylidenecyclohexa-1,3-diene-1-carbaldehyde
CID 87323024
1,1\'-Ferrocenedicarboxaldehyde
CID 11770601
1H-azepine-2-carbaldehyde;hydron
CID 174339584
4-cyclohexa-1,3-dien-1-ylbenzaldehyde
CID 89145336
6-bromocyclohexa-1,3,5-triene-1-carbaldehyde
CID 146163979
(5S,7R)-tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,8,10,12-pentaen-6-one
CID 102398309
bicyclo[5.4.1]dodeca-1(11),2,5,7,9-pentaen-4-one
CID 2751995
hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 101378249
7,7a-dihydro-1-benzothiophene-3-carbaldehyde
CID 163944141

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde?
The IUPAC name of bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde (CID 13495838) is bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde.
What is the SMILES notation for bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde?
The canonical SMILES for bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde is O=CC1=CC=C(C=O)C2=CC=CC=C1C2.
What is the InChIKey of bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde?
The InChIKey is NBOLVFAUWGLJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-8-12-5-6-13(9-15)11-4-2-1-3-10(12)7-11/h1-6,8-9H,7H2.
What are the key properties of bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde?
bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde has a molecular weight of 198.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2,5-dicarbaldehyde is sourced from PubChem (CID 13495838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).