4-dec-3-en-1,5-diynylbenzaldehyde

C17H16O — CID 71419156

IUPAC4-dec-3-en-1,5-diynylbenzaldehyde
SMILESCCCCC#CC=CC#Cc1ccc(C=O)cc1
InChIInChI=1S/C17H16O/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(15-18)14-12-16/h7-8,11-15H,2-4H2,1H3
InChIKeyZINJFDPFUZZZKP-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.60
Rot. Bonds3

About 4-dec-3-en-1,5-diynylbenzaldehyde

4-dec-3-en-1,5-diynylbenzaldehyde (PubChem CID 71419156) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-dec-3-en-1,5-diynylbenzaldehyde.

Molecular Properties

Compound Name4-dec-3-en-1,5-diynylbenzaldehyde
PubChem CID71419156
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name4-dec-3-en-1,5-diynylbenzaldehyde
SMILESCCCCC#CC=CC#Cc1ccc(C=O)cc1
InChIInChI=1S/C17H16O/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(15-18)14-12-16/h7-8,11-15H,2-4H2,1H3
InChIKeyZINJFDPFUZZZKP-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-dec-3-en-1,5-diynylbenzaldehyde?
The IUPAC name of 4-dec-3-en-1,5-diynylbenzaldehyde (CID 71419156) is 4-dec-3-en-1,5-diynylbenzaldehyde.
What is the SMILES notation for 4-dec-3-en-1,5-diynylbenzaldehyde?
The canonical SMILES for 4-dec-3-en-1,5-diynylbenzaldehyde is CCCCC#CC=CC#Cc1ccc(C=O)cc1.
What is the InChIKey of 4-dec-3-en-1,5-diynylbenzaldehyde?
The InChIKey is ZINJFDPFUZZZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-2-3-4-5-6-7-8-9-10-16-11-13-17(15-18)14-12-16/h7-8,11-15H,2-4H2,1H3.
What are the key properties of 4-dec-3-en-1,5-diynylbenzaldehyde?
4-dec-3-en-1,5-diynylbenzaldehyde has a molecular weight of 236.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dec-3-en-1,5-diynylbenzaldehyde is sourced from PubChem (CID 71419156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).