1-naphthalen-1-ylcyclopentane-1-carbaldehyde

C16H16O — CID 86726004

IUPAC1-naphthalen-1-ylcyclopentane-1-carbaldehyde
SMILESO=CC1(c2cccc3ccccc23)CCCC1
InChIInChI=1S/C16H16O/c17-12-16(10-3-4-11-16)15-9-5-7-13-6-1-2-8-14(13)15/h1-2,5-9,12H,3-4,10-11H2
InChIKeyIRQDGWSLYRFYLR-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.85
Rot. Bonds2

About 1-naphthalen-1-ylcyclopentane-1-carbaldehyde

1-naphthalen-1-ylcyclopentane-1-carbaldehyde (PubChem CID 86726004) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-naphthalen-1-ylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-naphthalen-1-ylcyclopentane-1-carbaldehyde
PubChem CID86726004
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-naphthalen-1-ylcyclopentane-1-carbaldehyde
SMILESO=CC1(c2cccc3ccccc23)CCCC1
InChIInChI=1S/C16H16O/c17-12-16(10-3-4-11-16)15-9-5-7-13-6-1-2-8-14(13)15/h1-2,5-9,12H,3-4,10-11H2
InChIKeyIRQDGWSLYRFYLR-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylcyclopentane-1-carbaldehyde?
The IUPAC name of 1-naphthalen-1-ylcyclopentane-1-carbaldehyde (CID 86726004) is 1-naphthalen-1-ylcyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-naphthalen-1-ylcyclopentane-1-carbaldehyde?
The canonical SMILES for 1-naphthalen-1-ylcyclopentane-1-carbaldehyde is O=CC1(c2cccc3ccccc23)CCCC1.
What is the InChIKey of 1-naphthalen-1-ylcyclopentane-1-carbaldehyde?
The InChIKey is IRQDGWSLYRFYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c17-12-16(10-3-4-11-16)15-9-5-7-13-6-1-2-8-14(13)15/h1-2,5-9,12H,3-4,10-11H2.
What are the key properties of 1-naphthalen-1-ylcyclopentane-1-carbaldehyde?
1-naphthalen-1-ylcyclopentane-1-carbaldehyde has a molecular weight of 224.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 86726004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).