tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane

C33H58O3Si — CID 11307095

IUPACtert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane
SMILESCCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C)/C=C/[C@H]1CC=C[C@H](OC(C)C)O1
InChIInChI=1S/C33H58O3Si/c1-13-29(21-22-30-19-16-20-32(35-30)34-25(3)4)24-27(6)18-15-17-26(5)23-28(7)31(14-2)36-37(11,12)33(8,9)10/h15-17,20-25,27-28,30-32H,13-14,18-19H2,1-12H3/b17-15+,22-21+,26-23+,29-24-/t27-,28-,30-,31+,32-/m1/s1
InChIKeyBVYKSWLTKGTREL-NZIWRACXSA-N
MW530.91 g/mol
LogP9.94
Rot. Bonds14

About tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane (PubChem CID 11307095) has the molecular formula C33H58O3Si and a molecular weight of 530.91 g/mol. Its IUPAC name is tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane
PubChem CID11307095
Molecular FormulaC33H58O3Si
Molecular Weight530.91 g/mol
Exact Mass530.42
IUPAC Nametert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane
SMILESCCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C)/C=C/[C@H]1CC=C[C@H](OC(C)C)O1
InChIInChI=1S/C33H58O3Si/c1-13-29(21-22-30-19-16-20-32(35-30)34-25(3)4)24-27(6)18-15-17-26(5)23-28(7)31(14-2)36-37(11,12)33(8,9)10/h15-17,20-25,27-28,30-32H,13-14,18-19H2,1-12H3/b17-15+,22-21+,26-23+,29-24-/t27-,28-,30-,31+,32-/m1/s1
InChIKeyBVYKSWLTKGTREL-NZIWRACXSA-N
XLogP9.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.91
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane
CID 11199420
[(2E,5E,7Z)-7-[(4S,5R)-5-[(E)-but-2-en-2-yl]-4-methyl-2,2-di(propan-2-yl)oxasilolan-3-ylidene]-3-methylhepta-2,5-dienyl] methyl carbonate
CID 11517382
[(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
CID 24740712
tert-butyl-[(2R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienoxy]-dimethylsilane
CID 49788316
triethyl-[(2S,3Z,5Z)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane
CID 134981916
(2S)-2-[(1E,3Z,5R,7E)-3-ethyl-5,9-dimethyldeca-1,3,7,9-tetraenyl]-6-propan-2-yloxy-3,6-dihydro-2H-pyran
CID 134982294
tert-butyl-[(3S,4E,6E)-5-ethyl-3-methyl-7-[(2S,3S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienoxy]-dimethylsilane
CID 134982503
(-)-(2S,5S)-5-((dimethylthexylsilyloxy)methyl)-2-methoxy-4-vinyl-2,5-dihydrofuran
CID 69886328
[(2S,5S)-3-ethenyl-5-methoxy-2,5-dihydrofuran-2-yl]methoxy-dimethyl-(2-methylpentan-2-yl)silane
CID 69907563
tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-8-(methoxymethoxy)-5,9-dimethylundeca-1,5,9-trien-4-yl]oxy-dimethylsilane
CID 149420818
[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-tri(propan-2-yl)silane
CID 175882118
tert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane
CID 175882120

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane (CID 11307095) is tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane is CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C)/C=C/[C@H]1CC=C[C@H](OC(C)C)O1.
What is the InChIKey of tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane?
The InChIKey is BVYKSWLTKGTREL-NZIWRACXSA-N. The full InChI is InChI=1S/C33H58O3Si/c1-13-29(21-22-30-19-16-20-32(35-30)34-25(3)4)24-27(6)18-15-17-26(5)23-28(7)31(14-2)36-37(11,12)33(8,9)10/h15-17,20-25,27-28,30-32H,13-14,18-19H2,1-12H3/b17-15+,22-21+,26-23+,29-24-/t27-,28-,30-,31+,32-/m1/s1.
What are the key properties of tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane has a molecular weight of 530.91 g/mol, XLogP of 9.94, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R,5E,7E,10R,11Z,13E)-12-ethyl-4,6,10-trimethyl-14-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]tetradeca-5,7,11,13-tetraen-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11307095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).