methyl 2-methylpenta-2,3-dienoate

C7H10O2 — CID 637806

IUPACmethyl 2-methylpenta-2,3-dienoate
SMILESCC=C=C(C)C(=O)OC
InChIInChI=1S/C7H10O2/c1-4-5-6(2)7(8)9-3/h4H,1-3H3
InChIKeyLTCKYNDMXVYVHB-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.28
Rot. Bonds1

About methyl 2-methylpenta-2,3-dienoate

methyl 2-methylpenta-2,3-dienoate (PubChem CID 637806) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is methyl 2-methylpenta-2,3-dienoate.

Molecular Properties

Compound Namemethyl 2-methylpenta-2,3-dienoate
PubChem CID637806
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namemethyl 2-methylpenta-2,3-dienoate
SMILESCC=C=C(C)C(=O)OC
InChIInChI=1S/C7H10O2/c1-4-5-6(2)7(8)9-3/h4H,1-3H3
InChIKeyLTCKYNDMXVYVHB-UHFFFAOYSA-N
XLogP1.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylpenta-2,3-dienoate?
The IUPAC name of methyl 2-methylpenta-2,3-dienoate (CID 637806) is methyl 2-methylpenta-2,3-dienoate.
What is the SMILES notation for methyl 2-methylpenta-2,3-dienoate?
The canonical SMILES for methyl 2-methylpenta-2,3-dienoate is CC=C=C(C)C(=O)OC.
What is the InChIKey of methyl 2-methylpenta-2,3-dienoate?
The InChIKey is LTCKYNDMXVYVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-4-5-6(2)7(8)9-3/h4H,1-3H3.
What are the key properties of methyl 2-methylpenta-2,3-dienoate?
methyl 2-methylpenta-2,3-dienoate has a molecular weight of 126.15 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylpenta-2,3-dienoate is sourced from PubChem (CID 637806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).