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

C14H26O4 — CID 73415946

IUPAC[(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)OC[C@H](C)O
InChIInChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15/h9-13,15H,5-8H2,1-4H3/t10-,11+,12+,13-/m1/s1
InChIKeyFLYJSXDJKBHQAU-MROQNXINSA-N
MW258.36 g/mol
LogP2.98
Rot. Bonds4

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

[(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate (PubChem CID 73415946) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is [(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate.

Molecular Properties

Compound Name[(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
PubChem CID73415946
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name[(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)OC[C@H](C)O
InChIInChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15/h9-13,15H,5-8H2,1-4H3/t10-,11+,12+,13-/m1/s1
InChIKeyFLYJSXDJKBHQAU-MROQNXINSA-N
XLogP2.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate?
The IUPAC name of [(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate (CID 73415946) is [(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate.
What is the SMILES notation for [(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate?
The canonical SMILES for [(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)OC[C@H](C)O.
What is the InChIKey of [(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate?
The InChIKey is FLYJSXDJKBHQAU-MROQNXINSA-N. The full InChI is InChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15/h9-13,15H,5-8H2,1-4H3/t10-,11+,12+,13-/m1/s1.
What are the key properties of [(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate?
[(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate has a molecular weight of 258.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate is sourced from PubChem (CID 73415946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).