[(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate

C12H22O2 — CID 123414870

IUPAC[(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate
SMILESCC(=O)OC1CCC[C@@](C)(C(C)C)C1
InChIInChI=1S/C12H22O2/c1-9(2)12(4)7-5-6-11(8-12)14-10(3)13/h9,11H,5-8H2,1-4H3/t11?,12-/m1/s1
InChIKeyWMGFBUJIRDCHAA-PIJUOVFKSA-N
MW198.31 g/mol
LogP3.15
Rot. Bonds2

About [(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate

[(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate (PubChem CID 123414870) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is [(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate.

Molecular Properties

Compound Name[(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate
PubChem CID123414870
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name[(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate
SMILESCC(=O)OC1CCC[C@@](C)(C(C)C)C1
InChIInChI=1S/C12H22O2/c1-9(2)12(4)7-5-6-11(8-12)14-10(3)13/h9,11H,5-8H2,1-4H3/t11?,12-/m1/s1
InChIKeyWMGFBUJIRDCHAA-PIJUOVFKSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-3-propan-2-ylcyclohexyl) carbonochloridate
CID 20570511
1-O-methyl 2-O-(3-methyl-3-propan-2-ylcyclohexyl) oxalate
CID 91504117
[2-hydroxy-3-(3-methyl-3-propan-2-ylcyclohexyl)oxypropyl] acetate
CID 91482253
8-(3-methyl-3-propan-2-ylcyclohexyl)oxy-8-oxooctanoic acid
CID 90777342
(3-methyl-3-propan-2-ylcyclohexyl) 2-hydroxybenzoate
CID 54028398
sodium;hydride;(3-methyl-3-propan-2-ylcyclohexyl)oxycarbonyl hydroxymethanesulfonate
CID 173340615
[(1S,3S)-3-methyl-3-propan-2-ylcyclohexyl] 3-[(2R)-4-oxoazetidin-2-yl]sulfanylprop-2-enoate
CID 54100350
2-(3-methyl-3-propan-2-ylcyclohexyl)oxyacetaldehyde
CID 57151132
trans-(1R,3S)-3-methyl-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 124680789
(3-methyl-3-propan-2-ylcyclohexyl) 3-hydroxybutanoate;N,2,3-trimethyl-2-propan-2-ylbutanamide
CID 69120313
(6-acetyloxycyclodecyl) acetate
CID 539578
(3-butyl-3-methylcyclohexyl) acetate;2-methylpropanal
CID 143727760

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate?
The IUPAC name of [(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate (CID 123414870) is [(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate.
What is the SMILES notation for [(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate?
The canonical SMILES for [(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate is CC(=O)OC1CCC[C@@](C)(C(C)C)C1.
What is the InChIKey of [(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate?
The InChIKey is WMGFBUJIRDCHAA-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(2)12(4)7-5-6-11(8-12)14-10(3)13/h9,11H,5-8H2,1-4H3/t11?,12-/m1/s1.
What are the key properties of [(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate?
[(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate has a molecular weight of 198.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-3-propan-2-ylcyclohexyl] acetate is sourced from PubChem (CID 123414870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).