adamantane;carboxy hydrogen carbonate

C12H18O5 — CID 87605200

IUPACadamantane;carboxy hydrogen carbonate
SMILESC1C2CC3CC1CC(C2)C3.O=C(O)OC(=O)O
InChIInChI=1S/C10H16.C2H2O5/c1-7-2-9-4-8(1)5-10(3-7)6-9;3-1(4)7-2(5)6/h7-10H,1-6H2;(H,3,4)(H,5,6)
InChIKeyGOVZMECIRKBPDK-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.19
Rot. Bonds

About adamantane;carboxy hydrogen carbonate

adamantane;carboxy hydrogen carbonate (PubChem CID 87605200) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is adamantane;carboxy hydrogen carbonate.

Molecular Properties

Compound Nameadamantane;carboxy hydrogen carbonate
PubChem CID87605200
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Nameadamantane;carboxy hydrogen carbonate
SMILESC1C2CC3CC1CC(C2)C3.O=C(O)OC(=O)O
InChIInChI=1S/C10H16.C2H2O5/c1-7-2-9-4-8(1)5-10(3-7)6-9;3-1(4)7-2(5)6/h7-10H,1-6H2;(H,3,4)(H,5,6)
InChIKeyGOVZMECIRKBPDK-UHFFFAOYSA-N
XLogP3.19
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze adamantane;carboxy 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

carboxy hydrogen carbonate;1,2-dimethylcyclopropane
CID 88768379
carboxy hydrogen carbonate;hydrochloride
CID 141485807
adamantane;hydrogen peroxide
CID 159706724
dicalcium;carboxy hydrogen carbonate;hydride
CID 174530537
adamantane;urea
CID 68761520
adamantane;(E)-but-2-enedioic acid
CID 67357767
adamantane;(E)-but-2-enedioate
CID 23505034
carboxy hydrogen carbonate;dichloromethane
CID 88783649
carboxy hydrogen carbonate;methylcyclohexane
CID 22447138
pentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 86001136
adamantane;bis(2-methylprop-2-enoic acid)
CID 146540937
dicarboxy carbonate
CID 18671322

Frequently Asked Questions

What is the IUPAC name of adamantane;carboxy hydrogen carbonate?
The IUPAC name of adamantane;carboxy hydrogen carbonate (CID 87605200) is adamantane;carboxy hydrogen carbonate.
What is the SMILES notation for adamantane;carboxy hydrogen carbonate?
The canonical SMILES for adamantane;carboxy hydrogen carbonate is C1C2CC3CC1CC(C2)C3.O=C(O)OC(=O)O.
What is the InChIKey of adamantane;carboxy hydrogen carbonate?
The InChIKey is GOVZMECIRKBPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C2H2O5/c1-7-2-9-4-8(1)5-10(3-7)6-9;3-1(4)7-2(5)6/h7-10H,1-6H2;(H,3,4)(H,5,6).
What are the key properties of adamantane;carboxy hydrogen carbonate?
adamantane;carboxy hydrogen carbonate has a molecular weight of 242.27 g/mol, XLogP of 3.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;carboxy hydrogen carbonate is sourced from PubChem (CID 87605200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).