tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane

C24H40Sn — CID 10837130

IUPACtributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane
SMILESC=CC[C@H]1[C@H](c2ccccc2)[C@H]1[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H13.3C4H9.Sn/c1-2-6-11-9-12(11)10-7-4-3-5-8-10;3*1-3-4-2;/h2-5,7-9,11-12H,1,6H2;3*1,3-4H2,2H3;/t11-,12+;;;;/m1..../s1
InChIKeyATTMCQFOXYOBFH-PWAPIHSDSA-N
MW447.30 g/mol
LogP8.20
Rot. Bonds13

About tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane

tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane (PubChem CID 10837130) has the molecular formula C24H40Sn and a molecular weight of 447.30 g/mol. Its IUPAC name is tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane.

Molecular Properties

Compound Nametributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane
PubChem CID10837130
Molecular FormulaC24H40Sn
Molecular Weight447.30 g/mol
Exact Mass448.22
IUPAC Nametributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane
SMILESC=CC[C@H]1[C@H](c2ccccc2)[C@H]1[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H13.3C4H9.Sn/c1-2-6-11-9-12(11)10-7-4-3-5-8-10;3*1-3-4-2;/h2-5,7-9,11-12H,1,6H2;3*1,3-4H2,2H3;/t11-,12+;;;;/m1..../s1
InChIKeyATTMCQFOXYOBFH-PWAPIHSDSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.30
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol
CID 102330777
[(2R)-2-butyl-2-prop-2-enylcyclopropyl]benzene
CID 101032196
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
dibutyl-(2-methylbut-3-en-2-yl)-phenylstannane
CID 10619687
tributyl(1-phenylprop-2-enyl)stannane
CID 11452525
hex-1-ene;toluene
CID 22480689
pentane;prop-2-enylbenzene
CID 90884247
[(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene
CID 10354669
(3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol
CID 12996147
3-butyl-5-methyl-4-phenyl-4,5-dihydro-3H-pyrazole
CID 90723422
diethyl (5R,6R)-5-phenyl-6-prop-2-enyl-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 134866146
butyl(phenyl)iodanium
CID 87304112

Frequently Asked Questions

What is the IUPAC name of tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane?
The IUPAC name of tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane (CID 10837130) is tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane.
What is the SMILES notation for tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane?
The canonical SMILES for tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane is C=CC[C@H]1[C@H](c2ccccc2)[C@H]1[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane?
The InChIKey is ATTMCQFOXYOBFH-PWAPIHSDSA-N. The full InChI is InChI=1S/C12H13.3C4H9.Sn/c1-2-6-11-9-12(11)10-7-4-3-5-8-10;3*1-3-4-2;/h2-5,7-9,11-12H,1,6H2;3*1,3-4H2,2H3;/t11-,12+;;;;/m1..../s1.
What are the key properties of tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane?
tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane has a molecular weight of 447.30 g/mol, XLogP of 8.20, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(1S,2R,3S)-2-phenyl-3-prop-2-enylcyclopropyl]stannane is sourced from PubChem (CID 10837130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).