2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde

C18H16O — CID 141067468

IUPAC2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
SMILESCC1=CC(c2ccc3ccccc3c2C=O)C(C)=C1
InChIInChI=1S/C18H16O/c1-12-9-13(2)17(10-12)16-8-7-14-5-3-4-6-15(14)18(16)11-19/h3-11,17H,1-2H3
InChIKeySVKWBRDORYLNAS-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.64
Rot. Bonds2

About 2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde

2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde (PubChem CID 141067468) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
PubChem CID141067468
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
SMILESCC1=CC(c2ccc3ccccc3c2C=O)C(C)=C1
InChIInChI=1S/C18H16O/c1-12-9-13(2)17(10-12)16-8-7-14-5-3-4-6-15(14)18(16)11-19/h3-11,17H,1-2H3
InChIKeySVKWBRDORYLNAS-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.64
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

1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one
CID 141067012
2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde
CID 139946468
2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
CID 141067355
2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde
CID 87584563
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline
CID 154500013
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
ethane;2-ethenylnaphthalene-1-carbaldehyde
CID 91162051
2-chloronaphthalene-1-carbaldehyde
CID 19065818
2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde
CID 101108886
2-hexadecylnaphthalene-1-carbaldehyde
CID 141208229
3-hydroxy-2-methylnaphthalene-1-carbaldehyde
CID 22259589

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde (CID 141067468) is 2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde is CC1=CC(c2ccc3ccccc3c2C=O)C(C)=C1.
What is the InChIKey of 2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde?
The InChIKey is SVKWBRDORYLNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-12-9-13(2)17(10-12)16-8-7-14-5-3-4-6-15(14)18(16)11-19/h3-11,17H,1-2H3.
What are the key properties of 2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde?
2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde has a molecular weight of 248.32 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 141067468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).