(4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate

C10H14O6 — CID 70662194

IUPAC(4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate
SMILESO=C(O)OC12CCC(OC(=O)O)(CC1)CC2
InChIInChI=1S/C10H14O6/c11-7(12)15-9-1-2-10(5-3-9,6-4-9)16-8(13)14/h1-6H2,(H,11,12)(H,13,14)
InChIKeyPOCFXYMWRDQEOZ-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.22
Rot. Bonds2

About (4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate

(4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate (PubChem CID 70662194) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is (4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate.

Molecular Properties

Compound Name(4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate
PubChem CID70662194
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name(4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate
SMILESO=C(O)OC12CCC(OC(=O)O)(CC1)CC2
InChIInChI=1S/C10H14O6/c11-7(12)15-9-1-2-10(5-3-9,6-4-9)16-8(13)14/h1-6H2,(H,11,12)(H,13,14)
InChIKeyPOCFXYMWRDQEOZ-UHFFFAOYSA-N
XLogP2.22
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5,7-tricarboxyoxy-1-adamantyl) hydrogen carbonate
CID 70118338
(4-heptyl-1-bicyclo[2.2.2]octanyl) hydrogen carbonate
CID 70462342
(1-aminocyclopropyl) hydrogen carbonate
CID 23070284
(1-hydroxycyclohexyl) hydrogen carbonate
CID 69015905
[1-(chloromethyl)cyclopentyl] hydrogen carbonate
CID 121370298
acetic acid;1-bicyclo[2.2.2]octanyl acetate
CID 70587796
methyl 4-acetyloxybicyclo[2.2.2]octane-1-carboxylate
CID 12765155
(2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate
CID 67900975
(4-propan-2-yl-1-bicyclo[2.2.2]octanyl) N-methylcarbamate
CID 146393560
(2-oxo-1-adamantyl) hydrogen carbonate
CID 141301867
[4-(aminomethyl)-1-methylcyclohexyl] hydrogen carbonate
CID 172908473
(2-aminosilyloxan-2-yl) hydrogen carbonate
CID 173333928

Frequently Asked Questions

What is the IUPAC name of (4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate?
The IUPAC name of (4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate (CID 70662194) is (4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate.
What is the SMILES notation for (4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate?
The canonical SMILES for (4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate is O=C(O)OC12CCC(OC(=O)O)(CC1)CC2.
What is the InChIKey of (4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate?
The InChIKey is POCFXYMWRDQEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c11-7(12)15-9-1-2-10(5-3-9,6-4-9)16-8(13)14/h1-6H2,(H,11,12)(H,13,14).
What are the key properties of (4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate?
(4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate has a molecular weight of 230.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate is sourced from PubChem (CID 70662194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).