1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate

C15H22N2O4 — CID 102431348

IUPAC1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate
SMILESCCCCCC=C=CCCOC(=O)C(=[N+]=[N-])C(=O)OCC
InChIInChI=1S/C15H22N2O4/c1-3-5-6-7-8-9-10-11-12-21-15(19)13(17-16)14(18)20-4-2/h8,10H,3-7,11-12H2,1-2H3
InChIKeyGNSLFRHVNVTQIU-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.45
Rot. Bonds10

About 1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate

1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate (PubChem CID 102431348) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate.

Molecular Properties

Compound Name1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate
PubChem CID102431348
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate
SMILESCCCCCC=C=CCCOC(=O)C(=[N+]=[N-])C(=O)OCC
InChIInChI=1S/C15H22N2O4/c1-3-5-6-7-8-9-10-11-12-21-15(19)13(17-16)14(18)20-4-2/h8,10H,3-7,11-12H2,1-2H3
InChIKeyGNSLFRHVNVTQIU-UHFFFAOYSA-N
XLogP2.45
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 137280982
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undeca-4,5-dienyl sulfamate
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pentacosa-12,13-diene
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octadecyl 2-hydroxybut-2-enoate
CID 141498457
ethyl 2-diazoundecanoate
CID 85177216
ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate
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1-O-ethyl 2-O-propyl oxalate
CID 6420312
octadeca-5,6-diene
CID 141110817
ethyl 4-chloro-2-diazo-3-oxobutanoate
CID 71421010
hexyl 2-diazopropanoate
CID 164520840

Frequently Asked Questions

What is the IUPAC name of 1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate?
The IUPAC name of 1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate (CID 102431348) is 1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate.
What is the SMILES notation for 1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate?
The canonical SMILES for 1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate is CCCCCC=C=CCCOC(=O)C(=[N+]=[N-])C(=O)OCC.
What is the InChIKey of 1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate?
The InChIKey is GNSLFRHVNVTQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-5-6-7-8-9-10-11-12-21-15(19)13(17-16)14(18)20-4-2/h8,10H,3-7,11-12H2,1-2H3.
What are the key properties of 1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate?
1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate has a molecular weight of 294.35 g/mol, XLogP of 2.45, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate is sourced from PubChem (CID 102431348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).