2-methyl-2-(2-methylprop-2-enyl)pent-3-enal

C10H16O — CID 154319941

IUPAC2-methyl-2-(2-methylprop-2-enyl)pent-3-enal
SMILESC=C(C)CC(C)(C=O)C=CC
InChIInChI=1S/C10H16O/c1-5-6-10(4,8-11)7-9(2)3/h5-6,8H,2,7H2,1,3-4H3
InChIKeyBIARBSZSIFLPHR-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.73
Rot. Bonds4

About 2-methyl-2-(2-methylprop-2-enyl)pent-3-enal

2-methyl-2-(2-methylprop-2-enyl)pent-3-enal (PubChem CID 154319941) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-2-enyl)pent-3-enal.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-2-enyl)pent-3-enal
PubChem CID154319941
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-methyl-2-(2-methylprop-2-enyl)pent-3-enal
SMILESC=C(C)CC(C)(C=O)C=CC
InChIInChI=1S/C10H16O/c1-5-6-10(4,8-11)7-9(2)3/h5-6,8H,2,7H2,1,3-4H3
InChIKeyBIARBSZSIFLPHR-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.73
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-methyl-2-(2-methylprop-2-enyl)pent-3-enal?
The IUPAC name of 2-methyl-2-(2-methylprop-2-enyl)pent-3-enal (CID 154319941) is 2-methyl-2-(2-methylprop-2-enyl)pent-3-enal.
What is the SMILES notation for 2-methyl-2-(2-methylprop-2-enyl)pent-3-enal?
The canonical SMILES for 2-methyl-2-(2-methylprop-2-enyl)pent-3-enal is C=C(C)CC(C)(C=O)C=CC.
What is the InChIKey of 2-methyl-2-(2-methylprop-2-enyl)pent-3-enal?
The InChIKey is BIARBSZSIFLPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-5-6-10(4,8-11)7-9(2)3/h5-6,8H,2,7H2,1,3-4H3.
What are the key properties of 2-methyl-2-(2-methylprop-2-enyl)pent-3-enal?
2-methyl-2-(2-methylprop-2-enyl)pent-3-enal has a molecular weight of 152.24 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylprop-2-enyl)pent-3-enal is sourced from PubChem (CID 154319941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).