[(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate

C11H20O3 — CID 91473780

IUPAC[(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate
SMILESCC(C)C1CC[C@@H](C)[C@@H](OC(=O)O)C1
InChIInChI=1S/C11H20O3/c1-7(2)9-5-4-8(3)10(6-9)14-11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)/t8-,9?,10+/m1/s1
InChIKeyHWPPRKLXSKCPMS-FIBVVXLUSA-N
MW200.28 g/mol
LogP3.14
Rot. Bonds2

About [(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate

[(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate (PubChem CID 91473780) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate.

Molecular Properties

Compound Name[(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate
PubChem CID91473780
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name[(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate
SMILESCC(C)C1CC[C@@H](C)[C@@H](OC(=O)O)C1
InChIInChI=1S/C11H20O3/c1-7(2)9-5-4-8(3)10(6-9)14-11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)/t8-,9?,10+/m1/s1
InChIKeyHWPPRKLXSKCPMS-FIBVVXLUSA-N
XLogP3.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] carbonochloridate
CID 59674887
[(1S,2S,5S)-2-methyl-5-propan-2-ylcyclohexyl] (1R,6S)-bicyclo[4.1.0]heptane-7-carboxylate
CID 824370
[(1R,2S,5R)-2-methyl-5-propan-2-ylcyclohexyl] 2-formyloxyacetate
CID 91139160
[(1R,2S,5R)-2-methyl-5-propan-2-ylcyclohexyl] formate
CID 87491817
4-methylpentyl (2-methyl-5-propan-2-ylcyclohexyl) carbonate
CID 91700652
(2-methyl-5-propan-2-ylcyclohexyl) pentyl carbonate
CID 91700649
[(1R,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl] methanesulfinate
CID 134928235
(2-methyl-5-propan-2-ylcyclohexyl) nonyl carbonate
CID 91715885
(2-methyl-5-propan-2-ylcyclohexyl) octyl carbonate
CID 91715884
(2-methyl-5-propan-2-ylcyclohexyl) anthracene-9-carboxylate
CID 101186707
cis-(1S,5R)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 168820123
[(2S,5R)-2-methyl-5-propan-2-ylcyclohexyl] (5R)-1-formyloxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 91391382

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate?
The IUPAC name of [(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate (CID 91473780) is [(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate.
What is the SMILES notation for [(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate?
The canonical SMILES for [(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate is CC(C)C1CC[C@@H](C)[C@@H](OC(=O)O)C1.
What is the InChIKey of [(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate?
The InChIKey is HWPPRKLXSKCPMS-FIBVVXLUSA-N. The full InChI is InChI=1S/C11H20O3/c1-7(2)9-5-4-8(3)10(6-9)14-11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)/t8-,9?,10+/m1/s1.
What are the key properties of [(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate?
[(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate has a molecular weight of 200.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-methyl-5-propan-2-ylcyclohexyl] hydrogen carbonate is sourced from PubChem (CID 91473780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).