tert-butyl dec-2-enoate

C14H26O2 — CID 71411738

IUPACtert-butyl dec-2-enoate
SMILESCCCCCCCC=CC(=O)OC(C)(C)C
InChIInChI=1S/C14H26O2/c1-5-6-7-8-9-10-11-12-13(15)16-14(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyJBQPOENDUWMBPH-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.24
Rot. Bonds7

About tert-butyl dec-2-enoate

tert-butyl dec-2-enoate (PubChem CID 71411738) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is tert-butyl dec-2-enoate.

Molecular Properties

Compound Nametert-butyl dec-2-enoate
PubChem CID71411738
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nametert-butyl dec-2-enoate
SMILESCCCCCCCC=CC(=O)OC(C)(C)C
InChIInChI=1S/C14H26O2/c1-5-6-7-8-9-10-11-12-13(15)16-14(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyJBQPOENDUWMBPH-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.24
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

ditert-butyl (2E,8E)-deca-2,8-dienedioate
CID 11266898
tert-butyl (2E,8E)-undeca-2,8-dienoate
CID 173151542
(1-chloro-2-methyl-1-oxopropan-2-yl) undec-2-enoate
CID 54299789
(2-methylpropan-2-yl)oxy hexadec-2-eneperoxoate
CID 173363176
undec-2-enoyl undec-2-enoate
CID 54428963
tert-butyl (Z)-triacont-21-enoate
CID 132563275
ethyl (E)-octadec-2-enoate
CID 10913939
ethyl tridec-2-enoate
CID 54010960
icos-1-enyl docos-2-enoate
CID 54494040
butyl icos-2-enoate
CID 91561454
dodecyl octadec-2-enoate
CID 71338613
tetratriacontyl icos-2-enoate
CID 175935411

Frequently Asked Questions

What is the IUPAC name of tert-butyl dec-2-enoate?
The IUPAC name of tert-butyl dec-2-enoate (CID 71411738) is tert-butyl dec-2-enoate.
What is the SMILES notation for tert-butyl dec-2-enoate?
The canonical SMILES for tert-butyl dec-2-enoate is CCCCCCCC=CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl dec-2-enoate?
The InChIKey is JBQPOENDUWMBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-6-7-8-9-10-11-12-13(15)16-14(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of tert-butyl dec-2-enoate?
tert-butyl dec-2-enoate has a molecular weight of 226.36 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl dec-2-enoate is sourced from PubChem (CID 71411738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).