5-methyl-2-propylhex-2-enedial

C10H16O2 — CID 175380332

IUPAC5-methyl-2-propylhex-2-enedial
SMILESCCCC(C=O)=CCC(C)C=O
InChIInChI=1S/C10H16O2/c1-3-4-10(8-12)6-5-9(2)7-11/h6-9H,3-5H2,1-2H3
InChIKeyLMOWMCXFKYSHSI-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.14
Rot. Bonds6

About 5-methyl-2-propylhex-2-enedial

5-methyl-2-propylhex-2-enedial (PubChem CID 175380332) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-methyl-2-propylhex-2-enedial.

Molecular Properties

Compound Name5-methyl-2-propylhex-2-enedial
PubChem CID175380332
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-methyl-2-propylhex-2-enedial
SMILESCCCC(C=O)=CCC(C)C=O
InChIInChI=1S/C10H16O2/c1-3-4-10(8-12)6-5-9(2)7-11/h6-9H,3-5H2,1-2H3
InChIKeyLMOWMCXFKYSHSI-UHFFFAOYSA-N
XLogP2.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-methyl-2-propylhex-2-enedial?
The IUPAC name of 5-methyl-2-propylhex-2-enedial (CID 175380332) is 5-methyl-2-propylhex-2-enedial.
What is the SMILES notation for 5-methyl-2-propylhex-2-enedial?
The canonical SMILES for 5-methyl-2-propylhex-2-enedial is CCCC(C=O)=CCC(C)C=O.
What is the InChIKey of 5-methyl-2-propylhex-2-enedial?
The InChIKey is LMOWMCXFKYSHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-4-10(8-12)6-5-9(2)7-11/h6-9H,3-5H2,1-2H3.
What are the key properties of 5-methyl-2-propylhex-2-enedial?
5-methyl-2-propylhex-2-enedial has a molecular weight of 168.24 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propylhex-2-enedial is sourced from PubChem (CID 175380332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).