[(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate

C12H20O2 — CID 92982396

IUPAC[(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate
SMILESCC(=O)OC1=C(C)CC[C@@H](C(C)C)C1
InChIInChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8,11H,5-7H2,1-4H3/t11-/m1/s1
InChIKeyFXHCRZPQIWGVNY-LLVKDONJSA-N
MW196.29 g/mol
LogP3.28
Rot. Bonds2

About [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate

[(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate (PubChem CID 92982396) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate.

Molecular Properties

Compound Name[(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate
PubChem CID92982396
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate
SMILESCC(=O)OC1=C(C)CC[C@@H](C(C)C)C1
InChIInChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8,11H,5-7H2,1-4H3/t11-/m1/s1
InChIKeyFXHCRZPQIWGVNY-LLVKDONJSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-3-(2-methyl-5-propan-2-ylcyclohexen-1-yl)prop-1-enyl] acetate
CID 126698315
(3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate
CID 23629035
1-(2-methyl-5-propan-2-ylcyclohexen-1-yl)pent-4-en-1-one
CID 177042654
3-(2-methyl-4-propan-2-ylcyclohexen-1-yl)propanoic acid
CID 175713569
2-(3,4-dimethylcyclohex-3-en-1-yl)propanoic acid
CID 118389070
(3S)-3-propan-2-ylcyclopentan-1-one
CID 10855459
3-acetyl-6-propan-2-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrol-4-one
CID 59059675
(5-methyl-2-prop-1-en-2-ylcyclohexen-1-yl) acetate
CID 12729460
methyl (5S)-2-hydroxy-5-propan-2-ylcyclohexene-1-carboxylate
CID 54694601
1-(4-propan-2-ylcyclohexylidene)propan-2-one
CID 103970926
1,2,3,5,6,7,8,8a-octahydroazulen-4-yl acetate
CID 539828
[2-(diacetylamino)cyclopenten-1-yl] acetate
CID 134935674

Frequently Asked Questions

What is the IUPAC name of [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate?
The IUPAC name of [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate (CID 92982396) is [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate.
What is the SMILES notation for [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate?
The canonical SMILES for [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate is CC(=O)OC1=C(C)CC[C@@H](C(C)C)C1.
What is the InChIKey of [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate?
The InChIKey is FXHCRZPQIWGVNY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8,11H,5-7H2,1-4H3/t11-/m1/s1.
What are the key properties of [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate?
[(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate has a molecular weight of 196.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-methyl-5-propan-2-ylcyclohexen-1-yl] acetate is sourced from PubChem (CID 92982396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).