(3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate

C7H16O5Si — CID 89414576

IUPAC(3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate
SMILESC[Si](C)(C)OC(CO)COC(=O)O
InChIInChI=1S/C7H16O5Si/c1-13(2,3)12-6(4-8)5-11-7(9)10/h6,8H,4-5H2,1-3H3,(H,9,10)
InChIKeyBNRMMZPDYIWQDE-UHFFFAOYSA-N
MW208.29 g/mol
LogP0.89
Rot. Bonds5

About (3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate

(3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate (PubChem CID 89414576) has the molecular formula C7H16O5Si and a molecular weight of 208.29 g/mol. Its IUPAC name is (3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate.

Molecular Properties

Compound Name(3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate
PubChem CID89414576
Molecular FormulaC7H16O5Si
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name(3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate
SMILESC[Si](C)(C)OC(CO)COC(=O)O
InChIInChI=1S/C7H16O5Si/c1-13(2,3)12-6(4-8)5-11-7(9)10/h6,8H,4-5H2,1-3H3,(H,9,10)
InChIKeyBNRMMZPDYIWQDE-UHFFFAOYSA-N
XLogP0.89
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate
CID 87233218
(1-carboxyoxy-3-methoxypropan-2-yl) carbonate
CID 19927087
(3-pentadecanoyloxy-2-trimethylsilyloxypropyl) hexadecanoate
CID 91751325
2-ethoxypentyl hydrogen carbonate
CID 139923190
1-carboxyoxypropan-2-yl hydrogen carbonate;perchloric acid
CID 87526850
2-ethoxyoctyl hydrogen carbonate
CID 139923121
[4-methoxy-2-(2-methoxyethoxy)butyl] hydrogen carbonate
CID 87840874
2,3-bis(trimethylsilyloxy)propyl nonadecanoate
CID 634380
[3-chloro-2-(2-methoxyethoxy)propyl] hydrogen carbonate
CID 141068739
magnesium;hydride;[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] hydrogen carbonate
CID 173053155
3-trimethylsilyloxybutanoic acid
CID 11008465
2-fluorobutyl hydrogen carbonate
CID 87127877

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate?
The IUPAC name of (3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate (CID 89414576) is (3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate.
What is the SMILES notation for (3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate?
The canonical SMILES for (3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate is C[Si](C)(C)OC(CO)COC(=O)O.
What is the InChIKey of (3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate?
The InChIKey is BNRMMZPDYIWQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O5Si/c1-13(2,3)12-6(4-8)5-11-7(9)10/h6,8H,4-5H2,1-3H3,(H,9,10).
What are the key properties of (3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate?
(3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate has a molecular weight of 208.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate is sourced from PubChem (CID 89414576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).