(1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione

C24H40N2O6Sn — CID 44549704

IUPAC(1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione
SMILESCCCC[Sn](CCCC)(CCCC)c1c2n(c(=O)[nH]c1=O)[C@@H]1O[C@H](CO2)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C12H13N2O6.3C4H9.Sn/c1-12(2)19-8-5-4-17-7-3-6(15)13-11(16)14(7)10(18-5)9(8)20-12;3*1-3-4-2;/h5,8-10H,4H2,1-2H3,(H,13,15,16);3*1,3-4H2,2H3;/t5-,8-,9-,10-;;;;/m1..../s1
InChIKeyUJGMJDITRDOZQW-YXSCOWGUSA-N
MW571.30 g/mol
LogP3.40
Rot. Bonds10

About (1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione

(1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione (PubChem CID 44549704) has the molecular formula C24H40N2O6Sn and a molecular weight of 571.30 g/mol. Its IUPAC name is (1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione.

Molecular Properties

Compound Name(1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione
PubChem CID44549704
Molecular FormulaC24H40N2O6Sn
Molecular Weight571.30 g/mol
Exact Mass572.19
IUPAC Name(1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione
SMILESCCCC[Sn](CCCC)(CCCC)c1c2n(c(=O)[nH]c1=O)[C@@H]1O[C@H](CO2)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C12H13N2O6.3C4H9.Sn/c1-12(2)19-8-5-4-17-7-3-6(15)13-11(16)14(7)10(18-5)9(8)20-12;3*1-3-4-2;/h5,8-10H,4H2,1-2H3,(H,13,15,16);3*1,3-4H2,2H3;/t5-,8-,9-,10-;;;;/m1..../s1
InChIKeyUJGMJDITRDOZQW-YXSCOWGUSA-N
XLogP3.40
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione with MolForge

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Related Compounds

(1R,10R,11R,15R)-13,13-dimethyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione
CID 14606217
(1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione
CID 11369123
(1R,10S,11S,15R)-13,13-dimethyl-12,14,16-trioxa-8-thia-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione
CID 23259424
1-[(1R,8R)-7-hydroxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-8-yl]-5-methylpyrimidine-2,4-dione
CID 71207043
3-[[(1R,13R,14R,18R)-16,16-dimethyl-3,5-dioxo-9,11,15,17,19-pentaoxa-2,4-diaza-10-phosphatetracyclo[11.5.1.12,6.014,18]icos-6(20)-en-10-yl]oxy]propanenitrile
CID 10788591
(1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide
CID 58241310
1-[(3aR,4R,6R,6aR)-6-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-methylpyrimidine-2,4-dione
CID 14562069
1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5,6-dihydroquinazoline-2,4-dione
CID 10389085
(1R,13R,14R,18R)-16,16-dimethyl-11,15,17,19-tetraoxa-2,4,6,9-tetrazapentacyclo[11.5.1.02,10.03,8.014,18]nonadeca-3,5,7,9-tetraen-7-amine
CID 15596166
1-[(3aS,6S)-6-(iodomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-chloropyrimidine-2,4-dione
CID 163199631
1-[(1S,6S)-7-hydroxy-4,4,13,13-tetramethyl-3,5,9,12,14-pentaoxatricyclo[8.4.0.02,6]tetradecan-8-yl]pyrimidine-2,4-dione
CID 58940322
12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione
CID 5251322

Frequently Asked Questions

What is the IUPAC name of (1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione?
The IUPAC name of (1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione (CID 44549704) is (1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione.
What is the SMILES notation for (1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione?
The canonical SMILES for (1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione is CCCC[Sn](CCCC)(CCCC)c1c2n(c(=O)[nH]c1=O)[C@@H]1O[C@H](CO2)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of (1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione?
The InChIKey is UJGMJDITRDOZQW-YXSCOWGUSA-N. The full InChI is InChI=1S/C12H13N2O6.3C4H9.Sn/c1-12(2)19-8-5-4-17-7-3-6(15)13-11(16)14(7)10(18-5)9(8)20-12;3*1-3-4-2;/h5,8-10H,4H2,1-2H3,(H,13,15,16);3*1,3-4H2,2H3;/t5-,8-,9-,10-;;;;/m1..../s1.
What are the key properties of (1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione?
(1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione has a molecular weight of 571.30 g/mol, XLogP of 3.40, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione is sourced from PubChem (CID 44549704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).