9,9-dimethylfluorene-4-carbaldehyde

C16H14O — CID 123972608

IUPAC9,9-dimethylfluorene-4-carbaldehyde
SMILESCC1(C)c2ccccc2-c2c(C=O)cccc21
InChIInChI=1S/C16H14O/c1-16(2)13-8-4-3-7-12(13)15-11(10-17)6-5-9-14(15)16/h3-10H,1-2H3
InChIKeyNZDMXBAMCTUMNP-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.81
Rot. Bonds1

About 9,9-dimethylfluorene-4-carbaldehyde

9,9-dimethylfluorene-4-carbaldehyde (PubChem CID 123972608) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 9,9-dimethylfluorene-4-carbaldehyde.

Molecular Properties

Compound Name9,9-dimethylfluorene-4-carbaldehyde
PubChem CID123972608
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name9,9-dimethylfluorene-4-carbaldehyde
SMILESCC1(C)c2ccccc2-c2c(C=O)cccc21
InChIInChI=1S/C16H14O/c1-16(2)13-8-4-3-7-12(13)15-11(10-17)6-5-9-14(15)16/h3-10H,1-2H3
InChIKeyNZDMXBAMCTUMNP-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.81
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 9,9-dimethylfluorene-4-carbaldehyde?
The IUPAC name of 9,9-dimethylfluorene-4-carbaldehyde (CID 123972608) is 9,9-dimethylfluorene-4-carbaldehyde.
What is the SMILES notation for 9,9-dimethylfluorene-4-carbaldehyde?
The canonical SMILES for 9,9-dimethylfluorene-4-carbaldehyde is CC1(C)c2ccccc2-c2c(C=O)cccc21.
What is the InChIKey of 9,9-dimethylfluorene-4-carbaldehyde?
The InChIKey is NZDMXBAMCTUMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-16(2)13-8-4-3-7-12(13)15-11(10-17)6-5-9-14(15)16/h3-10H,1-2H3.
What are the key properties of 9,9-dimethylfluorene-4-carbaldehyde?
9,9-dimethylfluorene-4-carbaldehyde has a molecular weight of 222.29 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylfluorene-4-carbaldehyde is sourced from PubChem (CID 123972608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).