tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane

C24H47NOSn — CID 14250108

IUPACtributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=C(N2CCCC2COC)CCC1
InChIInChI=1S/C12H20NO.3C4H9.Sn/c1-14-10-12-8-5-9-13(12)11-6-3-2-4-7-11;3*1-3-4-2;/h3,6,12H,2,4-5,7-10H2,1H3;3*1,3-4H2,2H3;
InChIKeySMFCARSKSAPAST-UHFFFAOYSA-N
MW484.36 g/mol
LogP7.38
Rot. Bonds13

About tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane

tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane (PubChem CID 14250108) has the molecular formula C24H47NOSn and a molecular weight of 484.36 g/mol. Its IUPAC name is tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane.

Molecular Properties

Compound Nametributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane
PubChem CID14250108
Molecular FormulaC24H47NOSn
Molecular Weight484.36 g/mol
Exact Mass485.27
IUPAC Nametributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=C(N2CCCC2COC)CCC1
InChIInChI=1S/C12H20NO.3C4H9.Sn/c1-14-10-12-8-5-9-13(12)11-6-3-2-4-7-11;3*1-3-4-2;/h3,6,12H,2,4-5,7-10H2,1H3;3*1,3-4H2,2H3;
InChIKeySMFCARSKSAPAST-UHFFFAOYSA-N
XLogP7.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.36
LogP ≤ 57.38
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-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
CID 10907053
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
tert-butyl-[[(2S)-1-(cyclohexen-1-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane
CID 134863476
(4S)-3-(cyclohexen-1-yl)-4-ethyl-2,2-dimethyl-1,3,2-oxazastannolidine
CID 134888443
(2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine
CID 135085876
1-(Cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 12810028

Frequently Asked Questions

What is the IUPAC name of tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane?
The IUPAC name of tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane (CID 14250108) is tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane.
What is the SMILES notation for tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane?
The canonical SMILES for tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane is CCCC[Sn](CCCC)(CCCC)C1C=C(N2CCCC2COC)CCC1.
What is the InChIKey of tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane?
The InChIKey is SMFCARSKSAPAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO.3C4H9.Sn/c1-14-10-12-8-5-9-13(12)11-6-3-2-4-7-11;3*1-3-4-2;/h3,6,12H,2,4-5,7-10H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane?
tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane has a molecular weight of 484.36 g/mol, XLogP of 7.38, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane is sourced from PubChem (CID 14250108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).