[(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate

C10H18O3 — CID 69113031

IUPAC[(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate
SMILESC[C@@H]1CCCC(C)(C)[C@@H]1OC(=O)O
InChIInChI=1S/C10H18O3/c1-7-5-4-6-10(2,3)8(7)13-9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyZDVSRMXHNZPFOA-HTQZYQBOSA-N
MW186.25 g/mol
LogP2.90
Rot. Bonds1

About [(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate

[(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate (PubChem CID 69113031) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate.

Molecular Properties

Compound Name[(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate
PubChem CID69113031
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate
SMILESC[C@@H]1CCCC(C)(C)[C@@H]1OC(=O)O
InChIInChI=1S/C10H18O3/c1-7-5-4-6-10(2,3)8(7)13-9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyZDVSRMXHNZPFOA-HTQZYQBOSA-N
XLogP2.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R,6R)-2,2,6-trimethylcyclohexyl] 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

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate?
The IUPAC name of [(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate (CID 69113031) is [(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate.
What is the SMILES notation for [(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate?
The canonical SMILES for [(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate is C[C@@H]1CCCC(C)(C)[C@@H]1OC(=O)O.
What is the InChIKey of [(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate?
The InChIKey is ZDVSRMXHNZPFOA-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-5-4-6-10(2,3)8(7)13-9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of [(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate?
[(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate has a molecular weight of 186.25 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-2,2,6-trimethylcyclohexyl] hydrogen carbonate is sourced from PubChem (CID 69113031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).