hexyl 2-diazopropanoate

C9H16N2O2 — CID 164520840

IUPAChexyl 2-diazopropanoate
SMILESCCCCCCOC(=O)C(C)=[N+]=[N-]
InChIInChI=1S/C9H16N2O2/c1-3-4-5-6-7-13-9(12)8(2)11-10/h3-7H2,1-2H3
InChIKeyHDMZEBZUFLWKDZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.80
Rot. Bonds6

About hexyl 2-diazopropanoate

hexyl 2-diazopropanoate (PubChem CID 164520840) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is hexyl 2-diazopropanoate.

Molecular Properties

Compound Namehexyl 2-diazopropanoate
PubChem CID164520840
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Namehexyl 2-diazopropanoate
SMILESCCCCCCOC(=O)C(C)=[N+]=[N-]
InChIInChI=1S/C9H16N2O2/c1-3-4-5-6-7-13-9(12)8(2)11-10/h3-7H2,1-2H3
InChIKeyHDMZEBZUFLWKDZ-UHFFFAOYSA-N
XLogP1.80
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.80
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ditridecyl oxalate
CID 18377796
dioctyl 2,3-dimethylbut-2-enedioate
CID 173381299
3-bromopropyl 2-diazopropanoate
CID 170556200
dipentyl (Z)-2,3-dimethylbut-2-enedioate
CID 175563283
decyl 2,3-dimethylbut-2-enoate
CID 146279966
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
1-[diazo(dodecoxy)methoxy]dodecane
CID 150858409
triheptacontyl hydrogen carbonate
CID 142754463
octacosyl carbamate
CID 160925840

Frequently Asked Questions

What is the IUPAC name of hexyl 2-diazopropanoate?
The IUPAC name of hexyl 2-diazopropanoate (CID 164520840) is hexyl 2-diazopropanoate.
What is the SMILES notation for hexyl 2-diazopropanoate?
The canonical SMILES for hexyl 2-diazopropanoate is CCCCCCOC(=O)C(C)=[N+]=[N-].
What is the InChIKey of hexyl 2-diazopropanoate?
The InChIKey is HDMZEBZUFLWKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-4-5-6-7-13-9(12)8(2)11-10/h3-7H2,1-2H3.
What are the key properties of hexyl 2-diazopropanoate?
hexyl 2-diazopropanoate has a molecular weight of 184.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-diazopropanoate is sourced from PubChem (CID 164520840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).