hydroxycarbamoyl 2-methyldodec-2-enoate

C14H25NO4 — CID 173146051

IUPAChydroxycarbamoyl 2-methyldodec-2-enoate
SMILESCCCCCCCCCC=C(C)C(=O)OC(=O)NO
InChIInChI=1S/C14H25NO4/c1-3-4-5-6-7-8-9-10-11-12(2)13(16)19-14(17)15-18/h11,18H,3-10H2,1-2H3,(H,15,17)
InChIKeyOZXJXAYYSUMNJW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.72
Rot. Bonds9

About hydroxycarbamoyl 2-methyldodec-2-enoate

hydroxycarbamoyl 2-methyldodec-2-enoate (PubChem CID 173146051) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is hydroxycarbamoyl 2-methyldodec-2-enoate.

Molecular Properties

Compound Namehydroxycarbamoyl 2-methyldodec-2-enoate
PubChem CID173146051
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namehydroxycarbamoyl 2-methyldodec-2-enoate
SMILESCCCCCCCCCC=C(C)C(=O)OC(=O)NO
InChIInChI=1S/C14H25NO4/c1-3-4-5-6-7-8-9-10-11-12(2)13(16)19-14(17)15-18/h11,18H,3-10H2,1-2H3,(H,15,17)
InChIKeyOZXJXAYYSUMNJW-UHFFFAOYSA-N
XLogP3.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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
amino 2-methylpentadec-2-enoate;hydrochloride
CID 174293023
N,2-dimethylundec-2-enamide
CID 4562078
(E)-N-ethyl-2-methylnon-2-enamide
CID 87136870
dodecyl 2-methylhenicos-2-enoate
CID 57172953
propyl 2-methyltridec-2-enoate
CID 174821186
heptyl 2-methylhexadec-2-enoate
CID 174820936
(E)-N-butyl-2-methyldec-2-enamide
CID 140554032
heptyl 2-methylundec-2-enoate
CID 174231744
icosyl 2-methyltricos-2-enoate
CID 90881383
nonyl 2-methylnon-2-enoate
CID 175301846

Frequently Asked Questions

What is the IUPAC name of hydroxycarbamoyl 2-methyldodec-2-enoate?
The IUPAC name of hydroxycarbamoyl 2-methyldodec-2-enoate (CID 173146051) is hydroxycarbamoyl 2-methyldodec-2-enoate.
What is the SMILES notation for hydroxycarbamoyl 2-methyldodec-2-enoate?
The canonical SMILES for hydroxycarbamoyl 2-methyldodec-2-enoate is CCCCCCCCCC=C(C)C(=O)OC(=O)NO.
What is the InChIKey of hydroxycarbamoyl 2-methyldodec-2-enoate?
The InChIKey is OZXJXAYYSUMNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-4-5-6-7-8-9-10-11-12(2)13(16)19-14(17)15-18/h11,18H,3-10H2,1-2H3,(H,15,17).
What are the key properties of hydroxycarbamoyl 2-methyldodec-2-enoate?
hydroxycarbamoyl 2-methyldodec-2-enoate has a molecular weight of 271.36 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxycarbamoyl 2-methyldodec-2-enoate is sourced from PubChem (CID 173146051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).