[(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate

C12H20O2 — CID 20837671

IUPAC[(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate
SMILESCC(=O)O[C@@]1(C)CC[C@@]2(C(C)C)C[C@H]21
InChIInChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10-,11-,12-/m0/s1
InChIKeyMYCFGFMJUUNKBN-SRVKXCTJSA-N
MW196.29 g/mol
LogP2.76
Rot. Bonds2

About [(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate

[(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate (PubChem CID 20837671) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate.

Molecular Properties

Compound Name[(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate
PubChem CID20837671
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate
SMILESCC(=O)O[C@@]1(C)CC[C@@]2(C(C)C)C[C@H]21
InChIInChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10-,11-,12-/m0/s1
InChIKeyMYCFGFMJUUNKBN-SRVKXCTJSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R,5R,7S,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
CID 98139389
[(1S,2R,5S,7R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
CID 122610127
[(1R,2R,5R,7S,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
CID 927604
[(2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
CID 134736182
(1-propan-2-ylcyclopentyl) acetate
CID 58143154
(2-acetyl-1-methylcyclopentyl) acetate
CID 12714397
[(1R,2R)-2-hydroxy-1-methylcyclohexyl] acetate
CID 11062866
(1-hydroxycyclooctyl) acetate
CID 91039609
(3,5-diacetyloxy-1-adamantyl) acetate
CID 14789836
[(1S,4R,7S,8S)-2,2,4,8-tetramethyl-8-tricyclo[5.3.1.04,11]undecanyl] acetate
CID 91750915
tert-butyl N-[(1R,5S)-2-(2-oxoethyl)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]carbamate
CID 87517304
(1-tert-butylcyclopentyl) acetate
CID 58430277

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate?
The IUPAC name of [(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate (CID 20837671) is [(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate.
What is the SMILES notation for [(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate?
The canonical SMILES for [(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate is CC(=O)O[C@@]1(C)CC[C@@]2(C(C)C)C[C@H]21.
What is the InChIKey of [(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate?
The InChIKey is MYCFGFMJUUNKBN-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10-,11-,12-/m0/s1.
What are the key properties of [(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate?
[(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate has a molecular weight of 196.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate is sourced from PubChem (CID 20837671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).