methyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate

C12H22O3 — CID 20611044

IUPACmethyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate
SMILESCOC(=O)OC1CCC[C@@](C)(C(C)C)C1
InChIInChI=1S/C12H22O3/c1-9(2)12(3)7-5-6-10(8-12)15-11(13)14-4/h9-10H,5-8H2,1-4H3/t10?,12-/m1/s1
InChIKeyUIIUULZNJWGDRX-TVKKRMFBSA-N
MW214.30 g/mol
LogP3.37
Rot. Bonds2

About methyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate

methyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate (PubChem CID 20611044) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is methyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate.

Molecular Properties

Compound Namemethyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate
PubChem CID20611044
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Namemethyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate
SMILESCOC(=O)OC1CCC[C@@](C)(C(C)C)C1
InChIInChI=1S/C12H22O3/c1-9(2)12(3)7-5-6-10(8-12)15-11(13)14-4/h9-10H,5-8H2,1-4H3/t10?,12-/m1/s1
InChIKeyUIIUULZNJWGDRX-TVKKRMFBSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate?
The IUPAC name of methyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate (CID 20611044) is methyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate.
What is the SMILES notation for methyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate?
The canonical SMILES for methyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate is COC(=O)OC1CCC[C@@](C)(C(C)C)C1.
What is the InChIKey of methyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate?
The InChIKey is UIIUULZNJWGDRX-TVKKRMFBSA-N. The full InChI is InChI=1S/C12H22O3/c1-9(2)12(3)7-5-6-10(8-12)15-11(13)14-4/h9-10H,5-8H2,1-4H3/t10?,12-/m1/s1.
What are the key properties of methyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate?
methyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate has a molecular weight of 214.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(3R)-3-methyl-3-propan-2-ylcyclohexyl] carbonate is sourced from PubChem (CID 20611044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).