2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde

C20H20O — CID 141067355

IUPAC2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
SMILESCC1=C(C)C(c2ccc3ccccc3c2C=O)C(C)=C1C
InChIInChI=1S/C20H20O/c1-12-13(2)15(4)20(14(12)3)18-10-9-16-7-5-6-8-17(16)19(18)11-21/h5-11,20H,1-4H3
InChIKeyUCYWNEHPAGMZSD-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.42
Rot. Bonds2

About 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde

2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde (PubChem CID 141067355) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
PubChem CID141067355
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
SMILESCC1=C(C)C(c2ccc3ccccc3c2C=O)C(C)=C1C
InChIInChI=1S/C20H20O/c1-12-13(2)15(4)20(14(12)3)18-10-9-16-7-5-6-8-17(16)19(18)11-21/h5-11,20H,1-4H3
InChIKeyUCYWNEHPAGMZSD-UHFFFAOYSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.42
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 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde (CID 141067355) is 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde is CC1=C(C)C(c2ccc3ccccc3c2C=O)C(C)=C1C.
What is the InChIKey of 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde?
The InChIKey is UCYWNEHPAGMZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-12-13(2)15(4)20(14(12)3)18-10-9-16-7-5-6-8-17(16)19(18)11-21/h5-11,20H,1-4H3.
What are the key properties of 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde?
2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde has a molecular weight of 276.38 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 141067355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).