methyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate

C10H16N2O2 — CID 86160363

IUPACmethyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate
SMILESC=C(CC(=[N+]=[N-])C(=O)OC)C(C)(C)C
InChIInChI=1S/C10H16N2O2/c1-7(10(2,3)4)6-8(12-11)9(13)14-5/h1,6H2,2-5H3
InChIKeyZRLUYBGYEJHFNX-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.82
Rot. Bonds3

About methyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate

methyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate (PubChem CID 86160363) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate.

Molecular Properties

Compound Namemethyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate
PubChem CID86160363
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate
SMILESC=C(CC(=[N+]=[N-])C(=O)OC)C(C)(C)C
InChIInChI=1S/C10H16N2O2/c1-7(10(2,3)4)6-8(12-11)9(13)14-5/h1,6H2,2-5H3
InChIKeyZRLUYBGYEJHFNX-UHFFFAOYSA-N
XLogP1.82
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl 4,4-dimethyl-3-methylidenepentanoate
CID 86181617
2,2,6,6-tetramethyl-5-methylideneheptan-3-one
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CID 85085698
3,3-dimethyl-2-methylidenebutane-1-thiol
CID 139438130
methyl 2-diazo-5-phenylpentanoate
CID 74317102
methyl (E)-2-diazo-5,5-dimethylhex-3-enoate
CID 162411558
methyl 4-cyclobutyl-2-diazo-3-oxobutanoate
CID 139842660
methyl (E)-2-diazopent-3-enoate
CID 86761092
methyl 2-diazo-3-(3-hydroxynaphthalen-2-yl)propanoate
CID 102205793
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
methyl 2-diazo-3-(4-nitrophenyl)propanoate
CID 74832983
4-diazo-5-methoxy-3,5-dioxopentanoic acid
CID 137256579

Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate?
The IUPAC name of methyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate (CID 86160363) is methyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate.
What is the SMILES notation for methyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate?
The canonical SMILES for methyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate is C=C(CC(=[N+]=[N-])C(=O)OC)C(C)(C)C.
What is the InChIKey of methyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate?
The InChIKey is ZRLUYBGYEJHFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(10(2,3)4)6-8(12-11)9(13)14-5/h1,6H2,2-5H3.
What are the key properties of methyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate?
methyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate has a molecular weight of 196.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazo-5,5-dimethyl-4-methylidenehexanoate is sourced from PubChem (CID 86160363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).