methyl 2-diazoundec-10-enoate

C12H20N2O2 — CID 85085698

IUPACmethyl 2-diazoundec-10-enoate
SMILESC=CCCCCCCCC(=[N+]=[N-])C(=O)OC
InChIInChI=1S/C12H20N2O2/c1-3-4-5-6-7-8-9-10-11(14-13)12(15)16-2/h3H,1,4-10H2,2H3
InChIKeyWSWKPBJSIPYKSU-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.75
Rot. Bonds9

About methyl 2-diazoundec-10-enoate

methyl 2-diazoundec-10-enoate (PubChem CID 85085698) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl 2-diazoundec-10-enoate.

Molecular Properties

Compound Namemethyl 2-diazoundec-10-enoate
PubChem CID85085698
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Namemethyl 2-diazoundec-10-enoate
SMILESC=CCCCCCCCC(=[N+]=[N-])C(=O)OC
InChIInChI=1S/C12H20N2O2/c1-3-4-5-6-7-8-9-10-11(14-13)12(15)16-2/h3H,1,4-10H2,2H3
InChIKeyWSWKPBJSIPYKSU-UHFFFAOYSA-N
XLogP2.75
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-oxoundec-10-enoate
CID 163362437
tricosa-1,22-dien-12-one
CID 86210796
dimethyl octadec-9-enedioate;methyl dec-9-enoate
CID 159471002
ethyl 3-oxodec-9-enoate
CID 10036105
hexadec-15-en-5-one
CID 91482743
pentacos-1-en-11-one
CID 21420755
3-oxoundec-10-enoic acid
CID 126707830
sulfanyl undec-10-enoate
CID 87067735
pentadec-14-en-7-one
CID 11528685
tricos-1-en-11-one
CID 146680996
1-(methylamino)dec-9-en-3-one
CID 107010832
methyl 2-diazo-5-phenylpentanoate
CID 74317102

Frequently Asked Questions

What is the IUPAC name of methyl 2-diazoundec-10-enoate?
The IUPAC name of methyl 2-diazoundec-10-enoate (CID 85085698) is methyl 2-diazoundec-10-enoate.
What is the SMILES notation for methyl 2-diazoundec-10-enoate?
The canonical SMILES for methyl 2-diazoundec-10-enoate is C=CCCCCCCCC(=[N+]=[N-])C(=O)OC.
What is the InChIKey of methyl 2-diazoundec-10-enoate?
The InChIKey is WSWKPBJSIPYKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-4-5-6-7-8-9-10-11(14-13)12(15)16-2/h3H,1,4-10H2,2H3.
What are the key properties of methyl 2-diazoundec-10-enoate?
methyl 2-diazoundec-10-enoate has a molecular weight of 224.30 g/mol, XLogP of 2.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazoundec-10-enoate is sourced from PubChem (CID 85085698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).