[(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate

C12H18O2 — CID 14806423

IUPAC[(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate
SMILESC=C(C)[C@@]1(C)CCC=C[C@H]1OC(C)=O
InChIInChI=1S/C12H18O2/c1-9(2)12(4)8-6-5-7-11(12)14-10(3)13/h5,7,11H,1,6,8H2,2-4H3/t11-,12-/m1/s1
InChIKeyUQBZYORRAROPIZ-VXGBXAGGSA-N
MW194.27 g/mol
LogP2.85
Rot. Bonds2

About [(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate

[(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate (PubChem CID 14806423) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is [(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate
PubChem CID14806423
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name[(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate
SMILESC=C(C)[C@@]1(C)CCC=C[C@H]1OC(C)=O
InChIInChI=1S/C12H18O2/c1-9(2)12(4)8-6-5-7-11(12)14-10(3)13/h5,7,11H,1,6,8H2,2-4H3/t11-,12-/m1/s1
InChIKeyUQBZYORRAROPIZ-VXGBXAGGSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S)-2-acetyloxycyclohex-3-en-1-yl] acetate
CID 11344622
[(1S,2R)-2-acetyloxycyclohex-3-en-1-yl] acetate
CID 12696434
[(1S,4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-yl] acetate
CID 11095055
methyl (1R,4E,6S)-6-acetyloxy-1-hydroxycyclooct-4-ene-1-carboxylate
CID 174263280
(5,5-diphenylcyclopent-2-en-1-yl) acetate
CID 10016397
[(1R)-cyclohept-2-en-1-yl] acetate
CID 12858459
cyclohex-2-en-1-yl acetate;methane
CID 159882311
[(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CID 15815897
[(1S,4Z,8S)-8-acetyloxycyclooct-4-en-1-yl] acetate
CID 10867992
methyl (1S,4E,6S)-6-hydroxy-1-methylcyclooct-4-ene-1-carboxylate
CID 159107949
[(2E)-8-methylcyclooct-2-en-1-yl] acetate
CID 159103280
[(1R,4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl] acetate
CID 10559066

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate?
The IUPAC name of [(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate (CID 14806423) is [(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate?
The canonical SMILES for [(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate is C=C(C)[C@@]1(C)CCC=C[C@H]1OC(C)=O.
What is the InChIKey of [(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate?
The InChIKey is UQBZYORRAROPIZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(2)12(4)8-6-5-7-11(12)14-10(3)13/h5,7,11H,1,6,8H2,2-4H3/t11-,12-/m1/s1.
What are the key properties of [(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate?
[(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate has a molecular weight of 194.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate is sourced from PubChem (CID 14806423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).