azane;nonyl hydrogen carbonate

C10H23NO3 — CID 175306231

IUPACazane;nonyl hydrogen carbonate
SMILESCCCCCCCCCOC(=O)O.N
InChIInChI=1S/C10H20O3.H3N/c1-2-3-4-5-6-7-8-9-13-10(11)12;/h2-9H2,1H3,(H,11,12);1H3
InChIKeyVDZBZSMESPTLSB-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.59
Rot. Bonds8

About azane;nonyl hydrogen carbonate

azane;nonyl hydrogen carbonate (PubChem CID 175306231) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is azane;nonyl hydrogen carbonate.

Molecular Properties

Compound Nameazane;nonyl hydrogen carbonate
PubChem CID175306231
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Nameazane;nonyl hydrogen carbonate
SMILESCCCCCCCCCOC(=O)O.N
InChIInChI=1S/C10H20O3.H3N/c1-2-3-4-5-6-7-8-9-13-10(11)12;/h2-9H2,1H3,(H,11,12);1H3
InChIKeyVDZBZSMESPTLSB-UHFFFAOYSA-N
XLogP3.59
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

triheptacontyl hydrogen carbonate
CID 142754463
heptaheptacontyl hydrogen carbonate
CID 162768324
calcium;dodecyl hydrogen carbonate;hydride
CID 174789528
butyl hydrogen carbonate
CID 157271096
guanidine;hexadecyl hydrogen carbonate;tetramethylazanium
CID 174736902
11-carboxyoxyundecyl hydrogen carbonate
CID 87454351
6-carboxyoxyhexyl hydrogen carbonate
CID 10420507
calcium;butyl hydrogen carbonate;hydride
CID 173385932
disodium;butyl hydrogen carbonate;hydride
CID 174632839
azane;dioctyl carbonate
CID 174626203
carbonic acid;5-carboxyoxypentyl hydrogen carbonate
CID 87376927
azane;tetradecyl acetate
CID 87432458

Frequently Asked Questions

What is the IUPAC name of azane;nonyl hydrogen carbonate?
The IUPAC name of azane;nonyl hydrogen carbonate (CID 175306231) is azane;nonyl hydrogen carbonate.
What is the SMILES notation for azane;nonyl hydrogen carbonate?
The canonical SMILES for azane;nonyl hydrogen carbonate is CCCCCCCCCOC(=O)O.N.
What is the InChIKey of azane;nonyl hydrogen carbonate?
The InChIKey is VDZBZSMESPTLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3.H3N/c1-2-3-4-5-6-7-8-9-13-10(11)12;/h2-9H2,1H3,(H,11,12);1H3.
What are the key properties of azane;nonyl hydrogen carbonate?
azane;nonyl hydrogen carbonate has a molecular weight of 205.30 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;nonyl hydrogen carbonate is sourced from PubChem (CID 175306231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).