[(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate

C15H28O2Sn — CID 134942314

IUPAC[(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H]1CCC[C@@H](/C=C\[Sn](C)(C)C)C1
InChIInChI=1S/C12H19O2.3CH3.Sn/c1-4-10-6-5-7-11(8-10)14-12(13)9(2)3;;;;/h1,4,9-11H,5-8H2,2-3H3;3*1H3;/t10-,11+;;;;/m1..../s1
InChIKeyIMXUOSOJCWXXHA-XTJLUVPXSA-N
MW359.10 g/mol
LogP4.18
Rot. Bonds4

About [(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate

[(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate (PubChem CID 134942314) has the molecular formula C15H28O2Sn and a molecular weight of 359.10 g/mol. Its IUPAC name is [(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate.

Molecular Properties

Compound Name[(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate
PubChem CID134942314
Molecular FormulaC15H28O2Sn
Molecular Weight359.10 g/mol
Exact Mass360.11
IUPAC Name[(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H]1CCC[C@@H](/C=C\[Sn](C)(C)C)C1
InChIInChI=1S/C12H19O2.3CH3.Sn/c1-4-10-6-5-7-11(8-10)14-12(13)9(2)3;;;;/h1,4,9-11H,5-8H2,2-3H3;3*1H3;/t10-,11+;;;;/m1..../s1
InChIKeyIMXUOSOJCWXXHA-XTJLUVPXSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.10
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate?
The IUPAC name of [(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate (CID 134942314) is [(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate.
What is the SMILES notation for [(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate?
The canonical SMILES for [(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate is CC(C)C(=O)O[C@H]1CCC[C@@H](/C=C\[Sn](C)(C)C)C1.
What is the InChIKey of [(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate?
The InChIKey is IMXUOSOJCWXXHA-XTJLUVPXSA-N. The full InChI is InChI=1S/C12H19O2.3CH3.Sn/c1-4-10-6-5-7-11(8-10)14-12(13)9(2)3;;;;/h1,4,9-11H,5-8H2,2-3H3;3*1H3;/t10-,11+;;;;/m1..../s1.
What are the key properties of [(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate?
[(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate has a molecular weight of 359.10 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[(Z)-2-trimethylstannylethenyl]cyclohexyl] 2-methylpropanoate is sourced from PubChem (CID 134942314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).