ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate

C17H30O5 — CID 11023446

IUPACethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate
SMILESCCOC(=O)[C@@H](C)OC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C17H30O5/c1-6-20-17(19)13(5)22-16(18)10-21-15-9-12(4)7-8-14(15)11(2)3/h11-15H,6-10H2,1-5H3/t12-,13-,14+,15-/m1/s1
InChIKeyJIEFZPWAJBQIAK-APIJFGDWSA-N
MW314.42 g/mol
LogP2.96
Rot. Bonds7

About ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate

ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate (PubChem CID 11023446) has the molecular formula C17H30O5 and a molecular weight of 314.42 g/mol. Its IUPAC name is ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate
PubChem CID11023446
Molecular FormulaC17H30O5
Molecular Weight314.42 g/mol
Exact Mass314.21
IUPAC Nameethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate
SMILESCCOC(=O)[C@@H](C)OC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C17H30O5/c1-6-20-17(19)13(5)22-16(18)10-21-15-9-12(4)7-8-14(15)11(2)3/h11-15H,6-10H2,1-5H3/t12-,13-,14+,15-/m1/s1
InChIKeyJIEFZPWAJBQIAK-APIJFGDWSA-N
XLogP2.96
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate with MolForge

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Related Compounds

2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
butyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
CID 63416740
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
CID 152752419
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
[(1R,2S)-2-hydroxycyclohexyl] 2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 92643363
ethyl (E)-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybut-2-enoate
CID 80545661
[(2S,3R)-3-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxymethyl]-2-prop-2-ynylhex-5-ynyl] 2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 126611187
N-(2-hydroxyethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 19762372

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate?
The IUPAC name of ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate (CID 11023446) is ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate.
What is the SMILES notation for ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate?
The canonical SMILES for ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate is CCOC(=O)[C@@H](C)OC(=O)CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate?
The InChIKey is JIEFZPWAJBQIAK-APIJFGDWSA-N. The full InChI is InChI=1S/C17H30O5/c1-6-20-17(19)13(5)22-16(18)10-21-15-9-12(4)7-8-14(15)11(2)3/h11-15H,6-10H2,1-5H3/t12-,13-,14+,15-/m1/s1.
What are the key properties of ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate?
ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate has a molecular weight of 314.42 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate is sourced from PubChem (CID 11023446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).