2-methylpenta-2,4-dienyl 2-methylprop-2-enoate

C10H14O2 — CID 56626841

IUPAC2-methylpenta-2,4-dienyl 2-methylprop-2-enoate
SMILESC=CC=C(C)COC(=O)C(=C)C
InChIInChI=1S/C10H14O2/c1-5-6-9(4)7-12-10(11)8(2)3/h5-6H,1-2,7H2,3-4H3
InChIKeyNXIQHKNFXTUVTG-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.24
Rot. Bonds4

About 2-methylpenta-2,4-dienyl 2-methylprop-2-enoate

2-methylpenta-2,4-dienyl 2-methylprop-2-enoate (PubChem CID 56626841) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methylpenta-2,4-dienyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylpenta-2,4-dienyl 2-methylprop-2-enoate
PubChem CID56626841
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-methylpenta-2,4-dienyl 2-methylprop-2-enoate
SMILESC=CC=C(C)COC(=O)C(=C)C
InChIInChI=1S/C10H14O2/c1-5-6-9(4)7-12-10(11)8(2)3/h5-6H,1-2,7H2,3-4H3
InChIKeyNXIQHKNFXTUVTG-UHFFFAOYSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpenta-2,4-dienyl 2-methylprop-2-enoate?
The IUPAC name of 2-methylpenta-2,4-dienyl 2-methylprop-2-enoate (CID 56626841) is 2-methylpenta-2,4-dienyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylpenta-2,4-dienyl 2-methylprop-2-enoate?
The canonical SMILES for 2-methylpenta-2,4-dienyl 2-methylprop-2-enoate is C=CC=C(C)COC(=O)C(=C)C.
What is the InChIKey of 2-methylpenta-2,4-dienyl 2-methylprop-2-enoate?
The InChIKey is NXIQHKNFXTUVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-6-9(4)7-12-10(11)8(2)3/h5-6H,1-2,7H2,3-4H3.
What are the key properties of 2-methylpenta-2,4-dienyl 2-methylprop-2-enoate?
2-methylpenta-2,4-dienyl 2-methylprop-2-enoate has a molecular weight of 166.22 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpenta-2,4-dienyl 2-methylprop-2-enoate is sourced from PubChem (CID 56626841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).