1,4-dihydronaphthalene-1-carbaldehyde

C11H10O — CID 45083981

IUPAC1,4-dihydronaphthalene-1-carbaldehyde
SMILESO=CC1C=CCc2ccccc21
InChIInChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-4,6-8,10H,5H2
InChIKeyWJUZGIWKFBUJNB-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.08
Rot. Bonds1

About 1,4-dihydronaphthalene-1-carbaldehyde

1,4-dihydronaphthalene-1-carbaldehyde (PubChem CID 45083981) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 1,4-dihydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name1,4-dihydronaphthalene-1-carbaldehyde
PubChem CID45083981
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name1,4-dihydronaphthalene-1-carbaldehyde
SMILESO=CC1C=CCc2ccccc21
InChIInChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-4,6-8,10H,5H2
InChIKeyWJUZGIWKFBUJNB-UHFFFAOYSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.08
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 1,4-dihydronaphthalene-1-carbaldehyde?
The IUPAC name of 1,4-dihydronaphthalene-1-carbaldehyde (CID 45083981) is 1,4-dihydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 1,4-dihydronaphthalene-1-carbaldehyde?
The canonical SMILES for 1,4-dihydronaphthalene-1-carbaldehyde is O=CC1C=CCc2ccccc21.
What is the InChIKey of 1,4-dihydronaphthalene-1-carbaldehyde?
The InChIKey is WJUZGIWKFBUJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-4,6-8,10H,5H2.
What are the key properties of 1,4-dihydronaphthalene-1-carbaldehyde?
1,4-dihydronaphthalene-1-carbaldehyde has a molecular weight of 158.20 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 45083981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).