[(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate

C12H20O2 — CID 91752501

IUPAC[(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate
SMILESCC(=O)OC1C[C@@]2(C(C)C)CC2[C@@H]1C
InChIInChI=1S/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3/t8-,10?,11?,12+/m0/s1
InChIKeyRYMWIDNPMDLHRP-HQIWOYNQSA-N
MW196.29 g/mol
LogP2.62
Rot. Bonds2

About [(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate

[(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate (PubChem CID 91752501) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate.

Molecular Properties

Compound Name[(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate
PubChem CID91752501
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate
SMILESCC(=O)OC1C[C@@]2(C(C)C)CC2[C@@H]1C
InChIInChI=1S/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3/t8-,10?,11?,12+/m0/s1
InChIKeyRYMWIDNPMDLHRP-HQIWOYNQSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate?
The IUPAC name of [(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate (CID 91752501) is [(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate.
What is the SMILES notation for [(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate?
The canonical SMILES for [(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate is CC(=O)OC1C[C@@]2(C(C)C)CC2[C@@H]1C.
What is the InChIKey of [(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate?
The InChIKey is RYMWIDNPMDLHRP-HQIWOYNQSA-N. The full InChI is InChI=1S/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3/t8-,10?,11?,12+/m0/s1.
What are the key properties of [(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate?
[(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate has a molecular weight of 196.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate is sourced from PubChem (CID 91752501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).