bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate

C37H88N4O7P28S — CID 158654849

IUPACbis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate
SMILESCCOC(=O)/C=C(\C)C/C=C/[C@H](C)[C@@H](C)CC.CCOC(=O)/C=C(\C)CCS(=O)(=O)c1nnnn1-c1ccccc1.CC[C@H](C)[C@@H](C)C=O.PP(P)P(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C15H18N4O4S.C15H26O2.C7H14O.H30P28/c1-3-23-14(20)11-12(2)9-10-24(21,22)15-16-17-18-19(15)13-7-5-4-6-8-13;1-6-13(4)14(5)10-8-9-12(3)11-15(16)17-7-2;1-4-6(2)7(3)5-8;1-16(2)23(15)27(24(17(3)4)18(5)6)28(25(19(7)8)20(9)10)26(21(11)12)22(13)14/h4-8,11H,3,9-10H2,1-2H3;8,10-11,13-14H,6-7,9H2,1-5H3;5-7H,4H2,1-3H3;1-15H2/b12-11+;10-8+,12-11+;;/t;13-,14-;6-,7-;/m.00./s1
InChIKeyIBZSIWSDZAKLFR-DEBOQEFGSA-N
MW1600.47 g/mol
LogP23.41
Rot. Bonds29

About bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate

bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate (PubChem CID 158654849) has the molecular formula C37H88N4O7P28S and a molecular weight of 1600.47 g/mol. Its IUPAC name is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate.

Molecular Properties

Compound Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate
PubChem CID158654849
Molecular FormulaC37H88N4O7P28S
Molecular Weight1600.47 g/mol
Exact Mass1599.90
IUPAC Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate
SMILESCCOC(=O)/C=C(\C)C/C=C/[C@H](C)[C@@H](C)CC.CCOC(=O)/C=C(\C)CCS(=O)(=O)c1nnnn1-c1ccccc1.CC[C@H](C)[C@@H](C)C=O.PP(P)P(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C15H18N4O4S.C15H26O2.C7H14O.H30P28/c1-3-23-14(20)11-12(2)9-10-24(21,22)15-16-17-18-19(15)13-7-5-4-6-8-13;1-6-13(4)14(5)10-8-9-12(3)11-15(16)17-7-2;1-4-6(2)7(3)5-8;1-16(2)23(15)27(24(17(3)4)18(5)6)28(25(19(7)8)20(9)10)26(21(11)12)22(13)14/h4-8,11H,3,9-10H2,1-2H3;8,10-11,13-14H,6-7,9H2,1-5H3;5-7H,4H2,1-3H3;1-15H2/b12-11+;10-8+,12-11+;;/t;13-,14-;6-,7-;/m.00./s1
InChIKeyIBZSIWSDZAKLFR-DEBOQEFGSA-N
XLogP23.41
TPSA147.41 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds29
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001600.47
LogP ≤ 523.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate with MolForge

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Related Compounds

ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfanylpent-2-enoate;methyl (E)-5-hydroxy-3-methylpent-2-enoate
CID 159006993
5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole
CID 10707883
tert-butyl (2E,4E)-2,4-dimethyl-6-(1-phenyltetrazol-5-yl)sulfonylhexa-2,4-dienoate
CID 54752705
ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate
CID 62007419
3,3-dimethyl-1-(1-phenyltetrazol-5-yl)sulfonylbutan-2-one
CID 50992481
ethyl 2-amino-4-(1-phenyltetrazol-5-yl)sulfanylbutanoate
CID 63035562
5-butylsulfonyl-1-phenyltetrazole;2-trimethylsilylethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanoate;2-trimethylsilylethyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate;2-trimethylsilylethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 161184549
2-[2-methyl-3-(1-phenyltetrazol-5-yl)sulfonylpropyl]pyrrolidine-1-carboxamide
CID 162445787
[(2R,3S)-3-[2-(1-phenyltetrazol-5-yl)sulfonylethyl]oxiran-2-yl] N,N-di(propan-2-yl)carbamate
CID 71475268
ethyl 4-oxo-4-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]butanoate
CID 30936106
3-(1-phenyltetrazol-5-yl)sulfonylpropanenitrile
CID 3242053
ethyl 4-formyl-1-phenylpyrazole-5-carboxylate
CID 112757155

Frequently Asked Questions

What is the IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate?
The IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate (CID 158654849) is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate.
What is the SMILES notation for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate?
The canonical SMILES for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate is CCOC(=O)/C=C(\C)C/C=C/[C@H](C)[C@@H](C)CC.CCOC(=O)/C=C(\C)CCS(=O)(=O)c1nnnn1-c1ccccc1.CC[C@H](C)[C@@H](C)C=O.PP(P)P(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate?
The InChIKey is IBZSIWSDZAKLFR-DEBOQEFGSA-N. The full InChI is InChI=1S/C15H18N4O4S.C15H26O2.C7H14O.H30P28/c1-3-23-14(20)11-12(2)9-10-24(21,22)15-16-17-18-19(15)13-7-5-4-6-8-13;1-6-13(4)14(5)10-8-9-12(3)11-15(16)17-7-2;1-4-6(2)7(3)5-8;1-16(2)23(15)27(24(17(3)4)18(5)6)28(25(19(7)8)20(9)10)26(21(11)12)22(13)14/h4-8,11H,3,9-10H2,1-2H3;8,10-11,13-14H,6-7,9H2,1-5H3;5-7H,4H2,1-3H3;1-15H2/b12-11+;10-8+,12-11+;;/t;13-,14-;6-,7-;/m.00./s1.
What are the key properties of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate?
bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate has a molecular weight of 1600.47 g/mol, XLogP of 23.41, 29 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;(2R,3S)-2,3-dimethylpentanal;ethyl (E)-3-methyl-5-(1-phenyltetrazol-5-yl)sulfonylpent-2-enoate;ethyl (2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dienoate is sourced from PubChem (CID 158654849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).