3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene

C10H18N3O3P — CID 14941296

IUPAC3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene
SMILESC=C(C(N=[N+]=[N-])=C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C10H18N3O3P/c1-6-15-17(14,16-7-2)9(5)10(8(3)4)12-13-11/h5-7H2,1-4H3
InChIKeySLGAPHHXLGNKPV-UHFFFAOYSA-N
MW259.25 g/mol
LogP4.37
Rot. Bonds7

About 3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene

3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene (PubChem CID 14941296) has the molecular formula C10H18N3O3P and a molecular weight of 259.25 g/mol. Its IUPAC name is 3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene.

Molecular Properties

Compound Name3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene
PubChem CID14941296
Molecular FormulaC10H18N3O3P
Molecular Weight259.25 g/mol
Exact Mass259.11
IUPAC Name3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene
SMILESC=C(C(N=[N+]=[N-])=C(C)C)P(=O)(OCC)OCC
InChIInChI=1S/C10H18N3O3P/c1-6-15-17(14,16-7-2)9(5)10(8(3)4)12-13-11/h5-7H2,1-4H3
InChIKeySLGAPHHXLGNKPV-UHFFFAOYSA-N
XLogP4.37
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
2-diethoxyphosphorylacetyl azide
CID 59835448
1-chloro-1-diethoxyphosphorylethene
CID 11481045
1-diethoxyphosphoryl-N-propan-2-ylethanimine
CID 151285044
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265
2-diethoxyphosphorylprop-2-enal
CID 10888762
2-diethoxyphosphorylpent-1-ene
CID 11844671
bis(diethoxyphosphoryl)methanimine
CID 87803281
1-[[diazo(ethylsulfonyl)methyl]-ethoxyphosphoryl]oxyethane
CID 126586567
2-azidoethyl-diethoxy-methylidene-λ5-phosphane
CID 118613730
methyl 2-diazo-2-diethoxyphosphorylacetate
CID 85435808
acetic acid;triethyl phosphate
CID 161446956

Frequently Asked Questions

What is the IUPAC name of 3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene?
The IUPAC name of 3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene (CID 14941296) is 3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene.
What is the SMILES notation for 3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene?
The canonical SMILES for 3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene is C=C(C(N=[N+]=[N-])=C(C)C)P(=O)(OCC)OCC.
What is the InChIKey of 3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene?
The InChIKey is SLGAPHHXLGNKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3O3P/c1-6-15-17(14,16-7-2)9(5)10(8(3)4)12-13-11/h5-7H2,1-4H3.
What are the key properties of 3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene?
3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene has a molecular weight of 259.25 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene is sourced from PubChem (CID 14941296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).