2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate

C12H21O3- — CID 7164421

IUPAC2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)[O-]
InChIInChI=1S/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/p-1/t9-,10-,11-/m1/s1
InChIKeyCILPHQCEVYJUDN-GMTAPVOTSA-M
MW213.30 g/mol
LogP1.21
Rot. Bonds4

About 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate

2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate (PubChem CID 7164421) has the molecular formula C12H21O3- and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate.

Molecular Properties

Compound Name2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
PubChem CID7164421
Molecular FormulaC12H21O3-
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)[O-]
InChIInChI=1S/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/p-1/t9-,10-,11-/m1/s1
InChIKeyCILPHQCEVYJUDN-GMTAPVOTSA-M
XLogP1.21
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
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
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
N-(2-hydroxyethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 19762372
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
4-(5-methyl-2-propan-2-ylcyclohexyl)oxy-4-oxobutanoate
CID 18676664
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
butyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
CID 63416740
3-[methyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119362785
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate
CID 11023446

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate?
The IUPAC name of 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate (CID 7164421) is 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate.
What is the SMILES notation for 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate?
The canonical SMILES for 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate is CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)[O-].
What is the InChIKey of 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate?
The InChIKey is CILPHQCEVYJUDN-GMTAPVOTSA-M. The full InChI is InChI=1S/C12H22O3/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3,(H,13,14)/p-1/t9-,10-,11-/m1/s1.
What are the key properties of 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate?
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate has a molecular weight of 213.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate is sourced from PubChem (CID 7164421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).