[1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate

C10H20O7Si — CID 173193314

IUPAC[1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate
SMILESCC(C)(C)O[SiH2]CCC(COC(=O)O)OC(=O)O
InChIInChI=1S/C10H20O7Si/c1-10(2,3)17-18-5-4-7(16-9(13)14)6-15-8(11)12/h7H,4-6,18H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyWUAQVKZOIKDCMB-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.45
Rot. Bonds7

About [1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate

[1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate (PubChem CID 173193314) has the molecular formula C10H20O7Si and a molecular weight of 280.35 g/mol. Its IUPAC name is [1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate
PubChem CID173193314
Molecular FormulaC10H20O7Si
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name[1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate
SMILESCC(C)(C)O[SiH2]CCC(COC(=O)O)OC(=O)O
InChIInChI=1S/C10H20O7Si/c1-10(2,3)17-18-5-4-7(16-9(13)14)6-15-8(11)12/h7H,4-6,18H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyWUAQVKZOIKDCMB-UHFFFAOYSA-N
XLogP1.45
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-ethoxypentyl hydrogen carbonate
CID 139923190
1-ethoxypentan-2-yl hydrogen carbonate
CID 139923305
[1-carboxyoxy-3-(2-methylprop-2-enoxy)propan-2-yl] hydrogen carbonate
CID 87655481
[4-methoxy-2-(2-methoxyethoxy)butyl] hydrogen carbonate
CID 87840874
(1-carboxyoxy-3-prop-2-enoxypropan-2-yl) hydrogen carbonate
CID 87261802
[4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923215
2-ethoxyoctyl hydrogen carbonate
CID 139923121
1-ethoxyhexan-2-yl hydrogen carbonate
CID 139923308
(1-carboxyoxy-3-methoxypropan-2-yl) carbonate
CID 19927087
(3-carboxyoxy-1,1,1-trifluoropropan-2-yl) hydrogen carbonate
CID 87090974
(2-carbamoyloxy-3-hydroxypropyl) hydrogen carbonate
CID 87233218
(3-hydroxy-2-trimethylsilyloxypropyl) hydrogen carbonate
CID 89414576

Frequently Asked Questions

What is the IUPAC name of [1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate?
The IUPAC name of [1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate (CID 173193314) is [1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate.
What is the SMILES notation for [1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate?
The canonical SMILES for [1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate is CC(C)(C)O[SiH2]CCC(COC(=O)O)OC(=O)O.
What is the InChIKey of [1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate?
The InChIKey is WUAQVKZOIKDCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O7Si/c1-10(2,3)17-18-5-4-7(16-9(13)14)6-15-8(11)12/h7H,4-6,18H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of [1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate?
[1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate has a molecular weight of 280.35 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carboxyoxy-4-[(2-methylpropan-2-yl)oxysilyl]butan-2-yl] hydrogen carbonate is sourced from PubChem (CID 173193314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).