(7-ethyl-7-methylsilylnonyl) hydrogen carbonate

C13H28O3Si — CID 175182910

IUPAC(7-ethyl-7-methylsilylnonyl) hydrogen carbonate
SMILESCCC(CC)(CCCCCCOC(=O)O)[SiH2]C
InChIInChI=1S/C13H28O3Si/c1-4-13(5-2,17-3)10-8-6-7-9-11-16-12(14)15/h4-11,17H2,1-3H3,(H,14,15)
InChIKeyHAZVNCCAOQLYIU-UHFFFAOYSA-N
MW260.45 g/mol
LogP3.83
Rot. Bonds10

About (7-ethyl-7-methylsilylnonyl) hydrogen carbonate

(7-ethyl-7-methylsilylnonyl) hydrogen carbonate (PubChem CID 175182910) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is (7-ethyl-7-methylsilylnonyl) hydrogen carbonate.

Molecular Properties

Compound Name(7-ethyl-7-methylsilylnonyl) hydrogen carbonate
PubChem CID175182910
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name(7-ethyl-7-methylsilylnonyl) hydrogen carbonate
SMILESCCC(CC)(CCCCCCOC(=O)O)[SiH2]C
InChIInChI=1S/C13H28O3Si/c1-4-13(5-2,17-3)10-8-6-7-9-11-16-12(14)15/h4-11,17H2,1-3H3,(H,14,15)
InChIKeyHAZVNCCAOQLYIU-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

calcium;dodecyl hydrogen carbonate;hydride
CID 174789528
6,6-dimethylheptyl hydrogen carbonate
CID 129150337
11-carboxyoxyundecyl hydrogen carbonate
CID 87454351
6-carboxyoxyhexyl hydrogen carbonate
CID 10420507
calcium;butyl hydrogen carbonate;hydride
CID 173385932
heptaheptacontyl hydrogen carbonate
CID 162768324
triheptacontyl hydrogen carbonate
CID 142754463
carbonic acid;5-carboxyoxypentyl hydrogen carbonate
CID 87376927
azane;nonyl hydrogen carbonate
CID 175306231
disodium;butyl hydrogen carbonate;hydride
CID 174632839
butyl hydrogen carbonate
CID 157271096
7,7-diethylnonyl acetate
CID 161418665

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-7-methylsilylnonyl) hydrogen carbonate?
The IUPAC name of (7-ethyl-7-methylsilylnonyl) hydrogen carbonate (CID 175182910) is (7-ethyl-7-methylsilylnonyl) hydrogen carbonate.
What is the SMILES notation for (7-ethyl-7-methylsilylnonyl) hydrogen carbonate?
The canonical SMILES for (7-ethyl-7-methylsilylnonyl) hydrogen carbonate is CCC(CC)(CCCCCCOC(=O)O)[SiH2]C.
What is the InChIKey of (7-ethyl-7-methylsilylnonyl) hydrogen carbonate?
The InChIKey is HAZVNCCAOQLYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-4-13(5-2,17-3)10-8-6-7-9-11-16-12(14)15/h4-11,17H2,1-3H3,(H,14,15).
What are the key properties of (7-ethyl-7-methylsilylnonyl) hydrogen carbonate?
(7-ethyl-7-methylsilylnonyl) hydrogen carbonate has a molecular weight of 260.45 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-7-methylsilylnonyl) hydrogen carbonate is sourced from PubChem (CID 175182910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).