methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate

C25H40O2Sn — CID 10624932

IUPACmethyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H]1[C@@H](/C=C/c2ccccc2)[C@@H]1C(=O)OC
InChIInChI=1S/C13H13O2.3C4H9.Sn/c1-15-13(14)12-9-11(12)8-7-10-5-3-2-4-6-10;3*1-3-4-2;/h2-9,11-12H,1H3;3*1,3-4H2,2H3;/b8-7+;;;;/t11-,12-;;;;/m1..../s1
InChIKeySXYDNBVXRRBAKS-FKKKBPKBSA-N
MW491.30 g/mol
LogP7.34
Rot. Bonds13

About methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate

methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate (PubChem CID 10624932) has the molecular formula C25H40O2Sn and a molecular weight of 491.30 g/mol. Its IUPAC name is methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate
PubChem CID10624932
Molecular FormulaC25H40O2Sn
Molecular Weight491.30 g/mol
Exact Mass492.21
IUPAC Namemethyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H]1[C@@H](/C=C/c2ccccc2)[C@@H]1C(=O)OC
InChIInChI=1S/C13H13O2.3C4H9.Sn/c1-15-13(14)12-9-11(12)8-7-10-5-3-2-4-6-10;3*1-3-4-2;/h2-9,11-12H,1H3;3*1,3-4H2,2H3;/b8-7+;;;;/t11-,12-;;;;/m1..../s1
InChIKeySXYDNBVXRRBAKS-FKKKBPKBSA-N
XLogP7.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.30
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tributylstannyl (E)-3-phenylprop-2-enoate
CID 16687405
methyl 2,2-dimethyl-3-[(E)-2-phenylethenyl]cyclopropane-1-carboxylate
CID 18624831
diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate
CID 54092539
methyl (2S,4S)-4-hydroxy-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylate
CID 71969468
methyl 2-(3-phenylprop-2-enoylamino)hexanoate
CID 78410683
dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate;ethane;bis(methyl 3-phenylprop-2-enoate)
CID 162035860
methyl (2S,3S)-3-tributylstannyloxirane-2-carboxylate
CID 15363581
tributyl-[(2E,4Z)-5-phenylpenta-2,4-dien-2-yl]stannane
CID 11212663
ethyl 3-[(E)-2-phenylethenyl]-1,4-dioxane-2-carboxylate
CID 91748647
pentan-1-ol;(E)-stilbene
CID 172553874
methoxymethyl-methyl-pentadecyl-(3-phenylprop-2-enoylamino)azanium
CID 141348272
butyl 4-phenylbut-3-enoate
CID 575894

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate?
The IUPAC name of methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate (CID 10624932) is methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate?
The canonical SMILES for methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate is CCCC[Sn](CCCC)(CCCC)[C@@H]1[C@@H](/C=C/c2ccccc2)[C@@H]1C(=O)OC.
What is the InChIKey of methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate?
The InChIKey is SXYDNBVXRRBAKS-FKKKBPKBSA-N. The full InChI is InChI=1S/C13H13O2.3C4H9.Sn/c1-15-13(14)12-9-11(12)8-7-10-5-3-2-4-6-10;3*1-3-4-2;/h2-9,11-12H,1H3;3*1,3-4H2,2H3;/b8-7+;;;;/t11-,12-;;;;/m1..../s1.
What are the key properties of methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate?
methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate has a molecular weight of 491.30 g/mol, XLogP of 7.34, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,3R)-2-[(E)-2-phenylethenyl]-3-tributylstannylcyclopropane-1-carboxylate is sourced from PubChem (CID 10624932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).