1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate

C14H20N2O4Si — CID 73084435

IUPAC1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate
SMILESC=CCCCOC(=O)C(=[N+]=[N-])C(=O)OCC#C[Si](C)(C)C
InChIInChI=1S/C14H20N2O4Si/c1-5-6-7-9-19-13(17)12(16-15)14(18)20-10-8-11-21(2,3)4/h5H,1,6-7,9-10H2,2-4H3
InChIKeyDRUOURNNSCHEHY-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.59
Rot. Bonds7

About 1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate

1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate (PubChem CID 73084435) has the molecular formula C14H20N2O4Si and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate.

Molecular Properties

Compound Name1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate
PubChem CID73084435
Molecular FormulaC14H20N2O4Si
Molecular Weight308.41 g/mol
Exact Mass308.12
IUPAC Name1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate
SMILESC=CCCCOC(=O)C(=[N+]=[N-])C(=O)OCC#C[Si](C)(C)C
InChIInChI=1S/C14H20N2O4Si/c1-5-6-7-9-19-13(17)12(16-15)14(18)20-10-8-11-21(2,3)4/h5H,1,6-7,9-10H2,2-4H3
InChIKeyDRUOURNNSCHEHY-UHFFFAOYSA-N
XLogP1.59
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.59
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-trimethylsilylprop-2-ynyl 2-fluoroprop-2-enoate
CID 149346214
1-O-deca-3,4-dienyl 3-O-ethyl 2-diazopropanedioate
CID 102431348
ethyl 2-diazo-3,5-dioxo-7-trimethylsilylhept-6-ynoate
CID 164665475
(Z)-1-hydroxy-1-methoxy-3-oxo-3-(3-trimethylsilylprop-2-ynoxy)prop-1-ene-2-diazonium
CID 10912080
prop-2-enyl 2-diazo-4-(methylamino)-3-oxobutanoate
CID 170069841
undec-10-enyl (E)-2-methylbut-2-enoate
CID 91701288
hex-5-enyl acetate
CID 537536
pent-4-enyl pent-4-enoate
CID 86018729
1-O-(2-but-2-enoyloxyethyl) 3-O-methyl 2-diazopropanedioate
CID 175879767
ethyl hex-5-enyl carbonate
CID 45140691
(Z)-4-hex-5-enoxy-2,3-dimethyl-4-oxobut-2-enoic acid
CID 175563353
3-trimethylsilyloxypropyl undec-10-enoate
CID 91749273

Frequently Asked Questions

What is the IUPAC name of 1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate?
The IUPAC name of 1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate (CID 73084435) is 1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate.
What is the SMILES notation for 1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate?
The canonical SMILES for 1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate is C=CCCCOC(=O)C(=[N+]=[N-])C(=O)OCC#C[Si](C)(C)C.
What is the InChIKey of 1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate?
The InChIKey is DRUOURNNSCHEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4Si/c1-5-6-7-9-19-13(17)12(16-15)14(18)20-10-8-11-21(2,3)4/h5H,1,6-7,9-10H2,2-4H3.
What are the key properties of 1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate?
1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate has a molecular weight of 308.41 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-pent-4-enyl 3-O-(3-trimethylsilylprop-2-ynyl) 2-diazopropanedioate is sourced from PubChem (CID 73084435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).