5-propan-2-ylhepta-5,6-dienal

C10H16O — CID 125494928

IUPAC5-propan-2-ylhepta-5,6-dienal
SMILESC=C=C(CCCC=O)C(C)C
InChIInChI=1S/C10H16O/c1-4-10(9(2)3)7-5-6-8-11/h8-9H,1,5-7H2,2-3H3
InChIKeySWHWPEPCNUOODT-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.72
Rot. Bonds5

About 5-propan-2-ylhepta-5,6-dienal

5-propan-2-ylhepta-5,6-dienal (PubChem CID 125494928) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-propan-2-ylhepta-5,6-dienal.

Molecular Properties

Compound Name5-propan-2-ylhepta-5,6-dienal
PubChem CID125494928
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name5-propan-2-ylhepta-5,6-dienal
SMILESC=C=C(CCCC=O)C(C)C
InChIInChI=1S/C10H16O/c1-4-10(9(2)3)7-5-6-8-11/h8-9H,1,5-7H2,2-3H3
InChIKeySWHWPEPCNUOODT-UHFFFAOYSA-N
XLogP2.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.72
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'}

Analyze 5-propan-2-ylhepta-5,6-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylhepta-5,6-dienal?
The IUPAC name of 5-propan-2-ylhepta-5,6-dienal (CID 125494928) is 5-propan-2-ylhepta-5,6-dienal.
What is the SMILES notation for 5-propan-2-ylhepta-5,6-dienal?
The canonical SMILES for 5-propan-2-ylhepta-5,6-dienal is C=C=C(CCCC=O)C(C)C.
What is the InChIKey of 5-propan-2-ylhepta-5,6-dienal?
The InChIKey is SWHWPEPCNUOODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-10(9(2)3)7-5-6-8-11/h8-9H,1,5-7H2,2-3H3.
What are the key properties of 5-propan-2-ylhepta-5,6-dienal?
5-propan-2-ylhepta-5,6-dienal has a molecular weight of 152.24 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylhepta-5,6-dienal is sourced from PubChem (CID 125494928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).