tert-butyl deca-2,3-dienoate

C14H24O2 — CID 25141088

IUPACtert-butyl deca-2,3-dienoate
SMILESCCCCCCC=C=CC(=O)OC(C)(C)C
InChIInChI=1S/C14H24O2/c1-5-6-7-8-9-10-11-12-13(15)16-14(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyANHQIBIZZJCIFO-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.01
Rot. Bonds6

About tert-butyl deca-2,3-dienoate

tert-butyl deca-2,3-dienoate (PubChem CID 25141088) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is tert-butyl deca-2,3-dienoate.

Molecular Properties

Compound Nametert-butyl deca-2,3-dienoate
PubChem CID25141088
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nametert-butyl deca-2,3-dienoate
SMILESCCCCCCC=C=CC(=O)OC(C)(C)C
InChIInChI=1S/C14H24O2/c1-5-6-7-8-9-10-11-12-13(15)16-14(2,3)4/h10,12H,5-9H2,1-4H3
InChIKeyANHQIBIZZJCIFO-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Nona-2,3-dienoic acid, ethyl ester
CID 533672
t-Butyl octa-2,3-dienoate
CID 175665131
Methyl nona-2,3-dienoate
CID 10725787
Methyl 4-methyldeca-2,3-dienoate
CID 13570873
Ethyl deca-2,3-dienoate
CID 13675401
Tert-butyl hepta-2,3-dienoate
CID 14974452
Ethyl 2-methyldeca-2,3-dienoate
CID 25067716
Tert-butyl 2-methylocta-2,3-dienoate
CID 49844203
Tert-butyl hepta-2,3,6-trienoate
CID 101770137
Tert-butyl trideca-2,3-dienoate
CID 101770139
Methyl 4-methylundeca-2,3-dienoate
CID 134988395
3-Ethylpent-1-en-3-yl prop-2-enoate
CID 135009193

Frequently Asked Questions

What is the IUPAC name of tert-butyl deca-2,3-dienoate?
The IUPAC name of tert-butyl deca-2,3-dienoate (CID 25141088) is tert-butyl deca-2,3-dienoate.
What is the SMILES notation for tert-butyl deca-2,3-dienoate?
The canonical SMILES for tert-butyl deca-2,3-dienoate is CCCCCCC=C=CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl deca-2,3-dienoate?
The InChIKey is ANHQIBIZZJCIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-6-7-8-9-10-11-12-13(15)16-14(2,3)4/h10,12H,5-9H2,1-4H3.
What are the key properties of tert-butyl deca-2,3-dienoate?
tert-butyl deca-2,3-dienoate has a molecular weight of 224.34 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl deca-2,3-dienoate is sourced from PubChem (CID 25141088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).