(2-oxo-1-adamantyl) hydrogen carbonate

C11H14O4 — CID 141301867

IUPAC(2-oxo-1-adamantyl) hydrogen carbonate
SMILESO=C(O)OC12CC3CC(CC(C3)C1=O)C2
InChIInChI=1S/C11H14O4/c12-9-8-2-6-1-7(3-8)5-11(9,4-6)15-10(13)14/h6-8H,1-5H2,(H,13,14)
InChIKeyVOVLXRQZVHLGLY-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.83
Rot. Bonds1

About (2-oxo-1-adamantyl) hydrogen carbonate

(2-oxo-1-adamantyl) hydrogen carbonate (PubChem CID 141301867) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2-oxo-1-adamantyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-oxo-1-adamantyl) hydrogen carbonate
PubChem CID141301867
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(2-oxo-1-adamantyl) hydrogen carbonate
SMILESO=C(O)OC12CC3CC(CC(C3)C1=O)C2
InChIInChI=1S/C11H14O4/c12-9-8-2-6-1-7(3-8)5-11(9,4-6)15-10(13)14/h6-8H,1-5H2,(H,13,14)
InChIKeyVOVLXRQZVHLGLY-UHFFFAOYSA-N
XLogP1.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,7R)-2-oxoadamantane-1-carboxylic acid
CID 7071792
2-(2-oxo-1-adamantyl)acetic acid
CID 5021744
2-oxoadamantane-1-carboxylate
CID 73131505
1-phenylmethoxyadamantan-2-one
CID 67017814
methyl N-[(5R,7R)-2-oxo-1-adamantyl]carbamate
CID 23375115
ethane-1,2-diol;1-hydroxyadamantan-2-one
CID 67841434
1-aminoadamantan-2-one;hydrochloride
CID 12563251
2-oxoadamantane-1-carbonitrile
CID 18942877
adamantane;carboxy hydrogen carbonate
CID 87605200
1-phenyladamantan-2-one
CID 14194605
2,4-dioxo-4-[(4-oxo-1-adamantyl)oxy]butanoic acid
CID 164747378
bicyclo[3.1.1]heptane-3,3-dicarboxylic acid
CID 71366048

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-adamantyl) hydrogen carbonate?
The IUPAC name of (2-oxo-1-adamantyl) hydrogen carbonate (CID 141301867) is (2-oxo-1-adamantyl) hydrogen carbonate.
What is the SMILES notation for (2-oxo-1-adamantyl) hydrogen carbonate?
The canonical SMILES for (2-oxo-1-adamantyl) hydrogen carbonate is O=C(O)OC12CC3CC(CC(C3)C1=O)C2.
What is the InChIKey of (2-oxo-1-adamantyl) hydrogen carbonate?
The InChIKey is VOVLXRQZVHLGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c12-9-8-2-6-1-7(3-8)5-11(9,4-6)15-10(13)14/h6-8H,1-5H2,(H,13,14).
What are the key properties of (2-oxo-1-adamantyl) hydrogen carbonate?
(2-oxo-1-adamantyl) hydrogen carbonate has a molecular weight of 210.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-adamantyl) hydrogen carbonate is sourced from PubChem (CID 141301867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).