dimethylamino 2-methyltricos-2-enoate

C26H51NO2 — CID 174950985

IUPACdimethylamino 2-methyltricos-2-enoate
SMILESCCCCCCCCCCCCCCCCCCCCC=C(C)C(=O)ON(C)C
InChIInChI=1S/C26H51NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)26(28)29-27(3)4/h24H,5-23H2,1-4H3
InChIKeySUTAEFKIORLWCX-UHFFFAOYSA-N
MW409.70 g/mol
LogP8.38
Rot. Bonds21

About dimethylamino 2-methyltricos-2-enoate

dimethylamino 2-methyltricos-2-enoate (PubChem CID 174950985) has the molecular formula C26H51NO2 and a molecular weight of 409.70 g/mol. Its IUPAC name is dimethylamino 2-methyltricos-2-enoate.

Molecular Properties

Compound Namedimethylamino 2-methyltricos-2-enoate
PubChem CID174950985
Molecular FormulaC26H51NO2
Molecular Weight409.70 g/mol
Exact Mass409.39
IUPAC Namedimethylamino 2-methyltricos-2-enoate
SMILESCCCCCCCCCCCCCCCCCCCCC=C(C)C(=O)ON(C)C
InChIInChI=1S/C26H51NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)26(28)29-27(3)4/h24H,5-23H2,1-4H3
InChIKeySUTAEFKIORLWCX-UHFFFAOYSA-N
XLogP8.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
methyl 2-methyloct-2-enoate
CID 71403822
propyl 2-methyltridec-2-enoate
CID 174821186
heptyl 2-methylhexadec-2-enoate
CID 174820936
dodecyl 2-methylhenicos-2-enoate
CID 57172953
amino 2-methylpentadec-2-enoate;hydrochloride
CID 174293023
heptyl 2-methylundec-2-enoate
CID 174231744
icosyl 2-methyltricos-2-enoate
CID 90881383
nonyl 2-methylnon-2-enoate
CID 175301846
N,N-dimethylformamide;2-methyloct-2-enoic acid
CID 161449780
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662

Frequently Asked Questions

What is the IUPAC name of dimethylamino 2-methyltricos-2-enoate?
The IUPAC name of dimethylamino 2-methyltricos-2-enoate (CID 174950985) is dimethylamino 2-methyltricos-2-enoate.
What is the SMILES notation for dimethylamino 2-methyltricos-2-enoate?
The canonical SMILES for dimethylamino 2-methyltricos-2-enoate is CCCCCCCCCCCCCCCCCCCCC=C(C)C(=O)ON(C)C.
What is the InChIKey of dimethylamino 2-methyltricos-2-enoate?
The InChIKey is SUTAEFKIORLWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)26(28)29-27(3)4/h24H,5-23H2,1-4H3.
What are the key properties of dimethylamino 2-methyltricos-2-enoate?
dimethylamino 2-methyltricos-2-enoate has a molecular weight of 409.70 g/mol, XLogP of 8.38, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino 2-methyltricos-2-enoate is sourced from PubChem (CID 174950985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).