cycloundeca-1,3-diene-1-carbaldehyde

C12H18O — CID 91339803

IUPACcycloundeca-1,3-diene-1-carbaldehyde
SMILESO=CC1=CC=CCCCCCCC1
InChIInChI=1S/C12H18O/c13-11-12-9-7-5-3-1-2-4-6-8-10-12/h5,7,9,11H,1-4,6,8,10H2
InChIKeyNQNLVVZUXLVUCX-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.41
Rot. Bonds1

About cycloundeca-1,3-diene-1-carbaldehyde

cycloundeca-1,3-diene-1-carbaldehyde (PubChem CID 91339803) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is cycloundeca-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Namecycloundeca-1,3-diene-1-carbaldehyde
PubChem CID91339803
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Namecycloundeca-1,3-diene-1-carbaldehyde
SMILESO=CC1=CC=CCCCCCCC1
InChIInChI=1S/C12H18O/c13-11-12-9-7-5-3-1-2-4-6-8-10-12/h5,7,9,11H,1-4,6,8,10H2
InChIKeyNQNLVVZUXLVUCX-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.41
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

(1E)-cyclononene-1-carbaldehyde
CID 22647283
1-cyclodeca-1,3-dien-1-ylcyclodeca-1,3-diene
CID 54521470
(1Z,3Z)-1-methylcyclodeca-1,3-diene
CID 142058765
1-methylcyclodeca-1,3-diene
CID 123810679
cyclohexanone;cyclohexene
CID 67659841
(10Z)-cycloicos-10-en-1-one
CID 11254844
(1Z,3E,5E)-cyclododeca-1,3,5-triene;1-ethenylcyclohexene
CID 141453701
(1E,3Z)-cycloocta-1,3-dien-1-amine
CID 22286865
1-ethynylcyclonona-1,3-diene
CID 123985924
(5E)-cycloheptadec-5-en-1-one
CID 13199934
7-oxocyclooctene-1-carbaldehyde
CID 173284056
1-(2-bromoethenyl)cyclohexa-1,3-diene
CID 123972073

Frequently Asked Questions

What is the IUPAC name of cycloundeca-1,3-diene-1-carbaldehyde?
The IUPAC name of cycloundeca-1,3-diene-1-carbaldehyde (CID 91339803) is cycloundeca-1,3-diene-1-carbaldehyde.
What is the SMILES notation for cycloundeca-1,3-diene-1-carbaldehyde?
The canonical SMILES for cycloundeca-1,3-diene-1-carbaldehyde is O=CC1=CC=CCCCCCCC1.
What is the InChIKey of cycloundeca-1,3-diene-1-carbaldehyde?
The InChIKey is NQNLVVZUXLVUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c13-11-12-9-7-5-3-1-2-4-6-8-10-12/h5,7,9,11H,1-4,6,8,10H2.
What are the key properties of cycloundeca-1,3-diene-1-carbaldehyde?
cycloundeca-1,3-diene-1-carbaldehyde has a molecular weight of 178.28 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloundeca-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 91339803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).