tris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate

C66H110O10Si3 — CID 157375288

IUPACtris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
SMILESCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](CCc2ccccc2)C(C)(C)C)[C@H](C(C)(C)C)C[C@@H]1C(C)(C)C.C[Si](C)=O.C[Si](C)=O.C[Si](C)=O
InChIInChI=1S/C36H58O2.C24H34O5.3C2H6OSi/c1-34(2,3)28(23-22-27-18-14-13-15-19-27)24-25-30-29(20-16-11-12-17-21-33(37)38-10)31(35(4,5)6)26-32(30)36(7,8)9;1-29-24(28)12-8-3-2-7-11-20-21(23(27)17-22(20)26)16-15-19(25)14-13-18-9-5-4-6-10-18;3*1-4(2)3/h11,13-16,18-19,24-25,28-32H,12,17,20-23,26H2,1-10H3;2,4-7,9-10,15-16,19-23,25-27H,3,8,11-14,17H2,1H3;3*1-2H3/b16-11-,25-24+;7-2-,16-15+;;;/t28-,29+,30+,31-,32+;19-,20+,21+,22-,23+;;;/m00.../s1
InChIKeyBKGHIVZYTUXBEY-JDCHKZJXSA-N
MW1147.85 g/mol
LogP15.28
Rot. Bonds22

About tris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate

tris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate (PubChem CID 157375288) has the molecular formula C66H110O10Si3 and a molecular weight of 1147.85 g/mol. Its IUPAC name is tris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate.

Molecular Properties

Compound Nametris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
PubChem CID157375288
Molecular FormulaC66H110O10Si3
Molecular Weight1147.85 g/mol
Exact Mass1146.74
IUPAC Nametris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
SMILESCOC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](CCc2ccccc2)C(C)(C)C)[C@H](C(C)(C)C)C[C@@H]1C(C)(C)C.C[Si](C)=O.C[Si](C)=O.C[Si](C)=O
InChIInChI=1S/C36H58O2.C24H34O5.3C2H6OSi/c1-34(2,3)28(23-22-27-18-14-13-15-19-27)24-25-30-29(20-16-11-12-17-21-33(37)38-10)31(35(4,5)6)26-32(30)36(7,8)9;1-29-24(28)12-8-3-2-7-11-20-21(23(27)17-22(20)26)16-15-19(25)14-13-18-9-5-4-6-10-18;3*1-4(2)3/h11,13-16,18-19,24-25,28-32H,12,17,20-23,26H2,1-10H3;2,4-7,9-10,15-16,19-23,25-27H,3,8,11-14,17H2,1H3;3*1-2H3/b16-11-,25-24+;7-2-,16-15+;;;/t28-,29+,30+,31-,32+;19-,20+,21+,22-,23+;;;/m00.../s1
InChIKeyBKGHIVZYTUXBEY-JDCHKZJXSA-N
XLogP15.28
TPSA164.50 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.85
LogP ≤ 515.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate with MolForge

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Related Compounds

propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
CID 56845829
propan-2-yl 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
CID 170923661
(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 91885972
7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
CID 123932006
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide
CID 134688569
N-(cyclopropylmethyl)-7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enamide
CID 53393950
(E)-8-[3,5-dihydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-1-hydroxyoct-6-en-2-one
CID 22628718
methyl (Z)-7-[(2R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-oxo-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate
CID 6434686
[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoyl] 2-prop-2-ynylpent-4-ynoate
CID 118634038
methyl (E)-7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 11921381
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-(4-methylphenyl)pent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 10046692
propan-2-yl 7-[(1R,2R)-3,5-dihydroxy-2-[3-hydroxy-5-(4-methylphenyl)pent-1-enyl]cyclopentyl]hept-5-enoate
CID 91173364

Frequently Asked Questions

What is the IUPAC name of tris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate?
The IUPAC name of tris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate (CID 157375288) is tris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate.
What is the SMILES notation for tris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate?
The canonical SMILES for tris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate is COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O.COC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](CCc2ccccc2)C(C)(C)C)[C@H](C(C)(C)C)C[C@@H]1C(C)(C)C.C[Si](C)=O.C[Si](C)=O.C[Si](C)=O.
What is the InChIKey of tris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate?
The InChIKey is BKGHIVZYTUXBEY-JDCHKZJXSA-N. The full InChI is InChI=1S/C36H58O2.C24H34O5.3C2H6OSi/c1-34(2,3)28(23-22-27-18-14-13-15-19-27)24-25-30-29(20-16-11-12-17-21-33(37)38-10)31(35(4,5)6)26-32(30)36(7,8)9;1-29-24(28)12-8-3-2-7-11-20-21(23(27)17-22(20)26)16-15-19(25)14-13-18-9-5-4-6-10-18;3*1-4(2)3/h11,13-16,18-19,24-25,28-32H,12,17,20-23,26H2,1-10H3;2,4-7,9-10,15-16,19-23,25-27H,3,8,11-14,17H2,1H3;3*1-2H3/b16-11-,25-24+;7-2-,16-15+;;;/t28-,29+,30+,31-,32+;19-,20+,21+,22-,23+;;;/m00.../s1.
What are the key properties of tris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate?
tris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate has a molecular weight of 1147.85 g/mol, XLogP of 15.28, 22 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethyl(oxo)silane);methyl (Z)-7-[(1R,2R,3R,5S)-3,5-ditert-butyl-2-[(E,3S)-4,4-dimethyl-3-(2-phenylethyl)pent-1-enyl]cyclopentyl]hept-5-enoate;methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate is sourced from PubChem (CID 157375288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).