[(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate

C10H16O2 — CID 10442084

IUPAC[(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate
SMILESCC(=O)O[C@]12CCCC[C@@]1(C)C2
InChIInChI=1S/C10H16O2/c1-8(11)12-10-6-4-3-5-9(10,2)7-10/h3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyJQXUWPGMKSWCJT-UWVGGRQHSA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds1

About [(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate

[(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate (PubChem CID 10442084) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate.

Molecular Properties

Compound Name[(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate
PubChem CID10442084
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate
SMILESCC(=O)O[C@]12CCCC[C@@]1(C)C2
InChIInChI=1S/C10H16O2/c1-8(11)12-10-6-4-3-5-9(10,2)7-10/h3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyJQXUWPGMKSWCJT-UWVGGRQHSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate?
The IUPAC name of [(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate (CID 10442084) is [(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate.
What is the SMILES notation for [(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate?
The canonical SMILES for [(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate is CC(=O)O[C@]12CCCC[C@@]1(C)C2.
What is the InChIKey of [(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate?
The InChIKey is JQXUWPGMKSWCJT-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(11)12-10-6-4-3-5-9(10,2)7-10/h3-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of [(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate?
[(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate has a molecular weight of 168.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6S)-6-methyl-1-bicyclo[4.1.0]heptanyl] acetate is sourced from PubChem (CID 10442084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).