(2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde

C17H14O — CID 129409548

IUPAC(2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde
SMILESCc1cc(C)c2c(c1)-c1ccccc1/C2=C\C=O
InChIInChI=1S/C17H14O/c1-11-9-12(2)17-15(7-8-18)13-5-3-4-6-14(13)16(17)10-11/h3-10H,1-2H3/b15-7+
InChIKeyYRXILBBCEPHXIH-VIZOYTHASA-N
MW234.30 g/mol
LogP3.91
Rot. Bonds1

About (2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde

(2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde (PubChem CID 129409548) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is (2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde.

Molecular Properties

Compound Name(2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde
PubChem CID129409548
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name(2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde
SMILESCc1cc(C)c2c(c1)-c1ccccc1/C2=C\C=O
InChIInChI=1S/C17H14O/c1-11-9-12(2)17-15(7-8-18)13-5-3-4-6-14(13)16(17)10-11/h3-10H,1-2H3/b15-7+
InChIKeyYRXILBBCEPHXIH-VIZOYTHASA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde?
The IUPAC name of (2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde (CID 129409548) is (2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde.
What is the SMILES notation for (2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde?
The canonical SMILES for (2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde is Cc1cc(C)c2c(c1)-c1ccccc1/C2=C\C=O.
What is the InChIKey of (2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde?
The InChIKey is YRXILBBCEPHXIH-VIZOYTHASA-N. The full InChI is InChI=1S/C17H14O/c1-11-9-12(2)17-15(7-8-18)13-5-3-4-6-14(13)16(17)10-11/h3-10H,1-2H3/b15-7+.
What are the key properties of (2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde?
(2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde has a molecular weight of 234.30 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1,3-dimethylfluoren-9-ylidene)acetaldehyde is sourced from PubChem (CID 129409548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).