2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate

C16H30O5 — CID 152752419

IUPAC2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
SMILESCOC(COC(=O)COC1CC(C)CCC1C(C)C)OC
InChIInChI=1S/C16H30O5/c1-11(2)13-7-6-12(3)8-14(13)20-9-15(17)21-10-16(18-4)19-5/h11-14,16H,6-10H2,1-5H3
InChIKeyCLNLFPVJPNZOIF-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.63
Rot. Bonds8

About 2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate

2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate (PubChem CID 152752419) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is 2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate.

Molecular Properties

Compound Name2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
PubChem CID152752419
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Name2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
SMILESCOC(COC(=O)COC1CC(C)CCC1C(C)C)OC
InChIInChI=1S/C16H30O5/c1-11(2)13-7-6-12(3)8-14(13)20-9-15(17)21-10-16(18-4)19-5/h11-14,16H,6-10H2,1-5H3
InChIKeyCLNLFPVJPNZOIF-UHFFFAOYSA-N
XLogP2.63
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(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
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,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate
CID 11023446
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
[(1R,2S)-2-hydroxycyclohexyl] 2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 92643363
[(1S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxyacetate
CID 175905801
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate?
The IUPAC name of 2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate (CID 152752419) is 2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate.
What is the SMILES notation for 2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate?
The canonical SMILES for 2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate is COC(COC(=O)COC1CC(C)CCC1C(C)C)OC.
What is the InChIKey of 2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate?
The InChIKey is CLNLFPVJPNZOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1-11(2)13-7-6-12(3)8-14(13)20-9-15(17)21-10-16(18-4)19-5/h11-14,16H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate?
2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate has a molecular weight of 302.41 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate is sourced from PubChem (CID 152752419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).