tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane

C24H49NOSn — CID 10907053

IUPACtributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(C)/C=C(\CC)N1CCC[C@H]1COC
InChIInChI=1S/C12H22NO.3C4H9.Sn/c1-4-7-11(5-2)13-9-6-8-12(13)10-14-3;3*1-3-4-2;/h4,7,12H,5-6,8-10H2,1-3H3;3*1,3-4H2,2H3;/b11-7+;;;;/t12-;;;;/m0..../s1
InChIKeyFVPZQMHMFQFORK-AWIAQRCPSA-N
MW486.37 g/mol
LogP7.63
Rot. Bonds15

About tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane

tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane (PubChem CID 10907053) has the molecular formula C24H49NOSn and a molecular weight of 486.37 g/mol. Its IUPAC name is tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
PubChem CID10907053
Molecular FormulaC24H49NOSn
Molecular Weight486.37 g/mol
Exact Mass487.28
IUPAC Nametributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(C)/C=C(\CC)N1CCC[C@H]1COC
InChIInChI=1S/C12H22NO.3C4H9.Sn/c1-4-7-11(5-2)13-9-6-8-12(13)10-14-3;3*1-3-4-2;/h4,7,12H,5-6,8-10H2,1-3H3;3*1,3-4H2,2H3;/b11-7+;;;;/t12-;;;;/m0..../s1
InChIKeyFVPZQMHMFQFORK-AWIAQRCPSA-N
XLogP7.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.37
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 11019768
(2R)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 12810029
(2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine
CID 166984253
Tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane
CID 14250108
Tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane
CID 14250116
tributyl-[(E)-4-[2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
CID 14250123
(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine
CID 15372847
(2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine
CID 15727189
Hipzjvzlcdaihx-qpjjxvbhsa-
CID 13464679
1-(Cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 12810028
2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine
CID 153334066
1-[(Z)-nonadec-3-en-4-yl]-2-(propan-2-yloxymethyl)pyrrolidine
CID 172373095

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane?
The IUPAC name of tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane (CID 10907053) is tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane.
What is the SMILES notation for tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane?
The canonical SMILES for tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)C(C)/C=C(\CC)N1CCC[C@H]1COC.
What is the InChIKey of tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane?
The InChIKey is FVPZQMHMFQFORK-AWIAQRCPSA-N. The full InChI is InChI=1S/C12H22NO.3C4H9.Sn/c1-4-7-11(5-2)13-9-6-8-12(13)10-14-3;3*1-3-4-2;/h4,7,12H,5-6,8-10H2,1-3H3;3*1,3-4H2,2H3;/b11-7+;;;;/t12-;;;;/m0..../s1.
What are the key properties of tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane?
tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane has a molecular weight of 486.37 g/mol, XLogP of 7.63, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane is sourced from PubChem (CID 10907053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).