tert-butyl 2-methylpenta-2,3-dienoate

C10H16O2 — CID 118169152

IUPACtert-butyl 2-methylpenta-2,3-dienoate
SMILESCC=C=C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H16O2/c1-6-7-8(2)9(11)12-10(3,4)5/h6H,1-5H3
InChIKeyAPTVWCUBWZWWCT-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds1

About tert-butyl 2-methylpenta-2,3-dienoate

tert-butyl 2-methylpenta-2,3-dienoate (PubChem CID 118169152) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is tert-butyl 2-methylpenta-2,3-dienoate.

Molecular Properties

Compound Nametert-butyl 2-methylpenta-2,3-dienoate
PubChem CID118169152
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nametert-butyl 2-methylpenta-2,3-dienoate
SMILESCC=C=C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H16O2/c1-6-7-8(2)9(11)12-10(3,4)5/h6H,1-5H3
InChIKeyAPTVWCUBWZWWCT-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
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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Related Compounds

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2,3-Butadienoic acid, 1,1-dimethylethyl ester
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2,3-Pentadienoic acid, 2-methyl-, ethyl ester
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tert-butyl (Z)-2-methylbut-2-enoate
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Tert-butyl prop-2-enoate;methyl 2-methylprop-2-enoate
CID 87733136
Tert-butyl penta-2,3-dienoate
CID 102131924
tert-Butyl 2-methylbut-2-enoate
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Methacrylic acid 1,1-dimethylpropyl ester
CID 14936298

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methylpenta-2,3-dienoate?
The IUPAC name of tert-butyl 2-methylpenta-2,3-dienoate (CID 118169152) is tert-butyl 2-methylpenta-2,3-dienoate.
What is the SMILES notation for tert-butyl 2-methylpenta-2,3-dienoate?
The canonical SMILES for tert-butyl 2-methylpenta-2,3-dienoate is CC=C=C(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methylpenta-2,3-dienoate?
The InChIKey is APTVWCUBWZWWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-7-8(2)9(11)12-10(3,4)5/h6H,1-5H3.
What are the key properties of tert-butyl 2-methylpenta-2,3-dienoate?
tert-butyl 2-methylpenta-2,3-dienoate has a molecular weight of 168.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methylpenta-2,3-dienoate is sourced from PubChem (CID 118169152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).