tert-butyl penta-2,3-dienoate

C9H14O2 — CID 102131924

IUPACtert-butyl penta-2,3-dienoate
SMILESCC=C=CC(=O)OC(C)(C)C
InChIInChI=1S/C9H14O2/c1-5-6-7-8(10)11-9(2,3)4/h5,7H,1-4H3
InChIKeySUIHUVOWIPNTLB-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.06
Rot. Bonds1

About tert-butyl penta-2,3-dienoate

tert-butyl penta-2,3-dienoate (PubChem CID 102131924) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is tert-butyl penta-2,3-dienoate.

Molecular Properties

Compound Nametert-butyl penta-2,3-dienoate
PubChem CID102131924
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nametert-butyl penta-2,3-dienoate
SMILESCC=C=CC(=O)OC(C)(C)C
InChIInChI=1S/C9H14O2/c1-5-6-7-8(10)11-9(2,3)4/h5,7H,1-4H3
InChIKeySUIHUVOWIPNTLB-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.06
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

tert-butyl 4-phenylsulfanylbuta-2,3-dienoate
CID 101228038
tert-butyl 6-cyclohexylhexa-2,3-dienoate
CID 102497420
tert-butyl prop-2-enoate
CID 158231977
tert-butyl 4-chloro-3-(chloromethyl)but-2-enoate
CID 18379383
tert-butyl prop-2-enoate;methanol
CID 174833528
tert-butyl (E)-3-iodoprop-2-enoate
CID 10999580
tert-butyl (2E,4E)-octa-2,4,6-trienoate
CID 131887303
(E)-1,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-en-1-olate
CID 134894311
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
tert-butyl (Z)-4-oxopent-2-enoate
CID 58880394
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842
tert-butyl (Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 164678963

Frequently Asked Questions

What is the IUPAC name of tert-butyl penta-2,3-dienoate?
The IUPAC name of tert-butyl penta-2,3-dienoate (CID 102131924) is tert-butyl penta-2,3-dienoate.
What is the SMILES notation for tert-butyl penta-2,3-dienoate?
The canonical SMILES for tert-butyl penta-2,3-dienoate is CC=C=CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl penta-2,3-dienoate?
The InChIKey is SUIHUVOWIPNTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-6-7-8(10)11-9(2,3)4/h5,7H,1-4H3.
What are the key properties of tert-butyl penta-2,3-dienoate?
tert-butyl penta-2,3-dienoate has a molecular weight of 154.21 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl penta-2,3-dienoate is sourced from PubChem (CID 102131924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).