(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane

C12H24O — CID 11086237

IUPAC(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
SMILESCCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C12H24O/c1-5-13-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3/t10-,11+,12-/m1/s1
InChIKeyXZAREUVKALEUIS-GRYCIOLGSA-N
MW184.32 g/mol
LogP3.48
Rot. Bonds3

About (1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane

(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 11086237) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
PubChem CID11086237
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
SMILESCCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C12H24O/c1-5-13-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3/t10-,11+,12-/m1/s1
InChIKeyXZAREUVKALEUIS-GRYCIOLGSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
fluoro-dimethyl-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]silane
CID 10988606
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane
CID 73079157
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-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of (1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane (CID 11086237) is (1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for (1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for (1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane is CCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is XZAREUVKALEUIS-GRYCIOLGSA-N. The full InChI is InChI=1S/C12H24O/c1-5-13-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3/t10-,11+,12-/m1/s1.
What are the key properties of (1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane?
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 184.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 11086237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).