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

C27H50O8 — CID 159592840

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

2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;2-hydroxypropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate (PubChem CID 159592840) has the molecular formula C27H50O8 and a molecular weight of 502.69 g/mol. Its IUPAC name is 2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;2-hydroxypropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate.

Molecular Properties

• Compound Name: 2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;2-hydroxypropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
• PubChem CID: 159592840
• Molecular Formula: C27H50O8
• Molecular Weight: 502.69 g/mol
• Exact Mass: 502.35
• IUPAC Name: 2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;2-hydroxypropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
• SMILES: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)OCCO.CC(O)COC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
• InChI: InChI=1S/C14H26O4.C13H24O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15;1-9(2)11-5-4-10(3)8-12(11)17-13(15)16-7-6-14/h9-13,15H,5-8H2,1-4H3;9-12,14H,4-8H2,1-3H3/t10-,11?,12+,13-;10-,11+,12-/m11/s1
• InChIKey: MKLOLHIDZRLIJP-OCSWJTSFSA-N
• XLogP: 5.57
• TPSA: 111.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.69
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;2-hydroxypropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate?

The IUPAC name of 2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;2-hydroxypropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate (CID 159592840) is 2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;2-hydroxypropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate.

What is the SMILES notation for 2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;2-hydroxypropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate?

The canonical SMILES for 2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;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)OCCO.CC(O)COC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.

What is the InChIKey of 2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;2-hydroxypropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate?

The InChIKey is MKLOLHIDZRLIJP-OCSWJTSFSA-N. The full InChI is InChI=1S/C14H26O4.C13H24O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15;1-9(2)11-5-4-10(3)8-12(11)17-13(15)16-7-6-14/h9-13,15H,5-8H2,1-4H3;9-12,14H,4-8H2,1-3H3/t10-,11?,12+,13-;10-,11+,12-/m11/s1.

What are the key properties of 2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;2-hydroxypropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate?

2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;2-hydroxypropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate has a molecular weight of 502.69 g/mol, XLogP of 5.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate;2-hydroxypropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate is sourced from PubChem (CID 159592840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).