2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal

C10H16O2 — CID 87848989

IUPAC2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal
SMILESC=CC(OCC(=C)C)C(C)C=O
InChIInChI=1S/C10H16O2/c1-5-10(9(4)6-11)12-7-8(2)3/h5-6,9-10H,1-2,7H2,3-4H3
InChIKeyGBRVSNXTKCAZTA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.97
Rot. Bonds6

About 2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal

2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal (PubChem CID 87848989) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal.

Molecular Properties

Compound Name2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal
PubChem CID87848989
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal
SMILESC=CC(OCC(=C)C)C(C)C=O
InChIInChI=1S/C10H16O2/c1-5-10(9(4)6-11)12-7-8(2)3/h5-6,9-10H,1-2,7H2,3-4H3
InChIKeyGBRVSNXTKCAZTA-UHFFFAOYSA-N
XLogP1.97
TPSA26.30 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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-3-(2-methylprop-2-enoxy)pent-4-enal?
The IUPAC name of 2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal (CID 87848989) is 2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal.
What is the SMILES notation for 2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal?
The canonical SMILES for 2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal is C=CC(OCC(=C)C)C(C)C=O.
What is the InChIKey of 2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal?
The InChIKey is GBRVSNXTKCAZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-10(9(4)6-11)12-7-8(2)3/h5-6,9-10H,1-2,7H2,3-4H3.
What are the key properties of 2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal?
2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal has a molecular weight of 168.24 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylprop-2-enoxy)pent-4-enal is sourced from PubChem (CID 87848989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).