2-(2-methylbutan-2-yl)pent-4-enal

C10H18O — CID 87485643

IUPAC2-(2-methylbutan-2-yl)pent-4-enal
SMILESC=CCC(C=O)C(C)(C)CC
InChIInChI=1S/C10H18O/c1-5-7-9(8-11)10(3,4)6-2/h5,8-9H,1,6-7H2,2-4H3
InChIKeyRTJVJMUAWYWVSJ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.81
Rot. Bonds5

About 2-(2-methylbutan-2-yl)pent-4-enal

2-(2-methylbutan-2-yl)pent-4-enal (PubChem CID 87485643) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)pent-4-enal.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)pent-4-enal
PubChem CID87485643
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-(2-methylbutan-2-yl)pent-4-enal
SMILESC=CCC(C=O)C(C)(C)CC
InChIInChI=1S/C10H18O/c1-5-7-9(8-11)10(3,4)6-2/h5,8-9H,1,6-7H2,2-4H3
InChIKeyRTJVJMUAWYWVSJ-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)pent-4-enal?
The IUPAC name of 2-(2-methylbutan-2-yl)pent-4-enal (CID 87485643) is 2-(2-methylbutan-2-yl)pent-4-enal.
What is the SMILES notation for 2-(2-methylbutan-2-yl)pent-4-enal?
The canonical SMILES for 2-(2-methylbutan-2-yl)pent-4-enal is C=CCC(C=O)C(C)(C)CC.
What is the InChIKey of 2-(2-methylbutan-2-yl)pent-4-enal?
The InChIKey is RTJVJMUAWYWVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-7-9(8-11)10(3,4)6-2/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 2-(2-methylbutan-2-yl)pent-4-enal?
2-(2-methylbutan-2-yl)pent-4-enal has a molecular weight of 154.25 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)pent-4-enal is sourced from PubChem (CID 87485643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).