(2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one

C56H78O10Si2 — CID 158808434

IUPAC(2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one
SMILESC=CCC(=O)C(OC)C1OC(C)(C)OC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=CC[C@H](O)C(OC)C1OC(C)(C)OC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40O5Si.C28H38O5Si/c2*1-8-15-23(29)25(30-7)26-24(32-28(5,6)33-26)20-31-34(27(2,3)4,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h8-14,16-19,23-26,29H,1,15,20H2,2-7H3;8-14,16-19,24-26H,1,15,20H2,2-7H3/t23-,24?,25?,26?;/m0./s1
InChIKeyIUJIXBYNSCZXOL-DNIZNODMSA-N
MW967.40 g/mol
LogP8.28
Rot. Bonds20

About (2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one

(2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one (PubChem CID 158808434) has the molecular formula C56H78O10Si2 and a molecular weight of 967.40 g/mol. Its IUPAC name is (2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one.

Molecular Properties

Compound Name(2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one
PubChem CID158808434
Molecular FormulaC56H78O10Si2
Molecular Weight967.40 g/mol
Exact Mass966.51
IUPAC Name(2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one
SMILESC=CCC(=O)C(OC)C1OC(C)(C)OC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=CC[C@H](O)C(OC)C1OC(C)(C)OC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40O5Si.C28H38O5Si/c2*1-8-15-23(29)25(30-7)26-24(32-28(5,6)33-26)20-31-34(27(2,3)4,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h8-14,16-19,23-26,29H,1,15,20H2,2-7H3;8-14,16-19,24-26H,1,15,20H2,2-7H3/t23-,24?,25?,26?;/m0./s1
InChIKeyIUJIXBYNSCZXOL-DNIZNODMSA-N
XLogP8.28
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.40
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one with MolForge

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Related Compounds

(1S)-1-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxybutan-2-one
CID 59047996
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 18647944
(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-2-methylpent-4-en-2-ol
CID 59047957
(2S)-1-[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol
CID 59901827
(1S)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 14824006
(1R)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 10905059
(4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carboxylic acid
CID 122173438
(3R)-3-[(4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]butan-2-one
CID 135017592
(1S)-1-(1-benzofuran-2-yl)-2-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 24949998
[(4R,5S)-5-[(1R,2S)-2-hydroxy-1-(phenylmethoxycarbonylamino)pent-4-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl benzoate
CID 42646422
[(4R,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methanol
CID 102393035
[(E,1S,5R)-5-[(4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-hydroxypent-3-enyl] methanesulfonate
CID 101378996

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one?
The IUPAC name of (2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one (CID 158808434) is (2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one.
What is the SMILES notation for (2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one?
The canonical SMILES for (2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one is C=CCC(=O)C(OC)C1OC(C)(C)OC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=CC[C@H](O)C(OC)C1OC(C)(C)OC1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one?
The InChIKey is IUJIXBYNSCZXOL-DNIZNODMSA-N. The full InChI is InChI=1S/C28H40O5Si.C28H38O5Si/c2*1-8-15-23(29)25(30-7)26-24(32-28(5,6)33-26)20-31-34(27(2,3)4,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h8-14,16-19,23-26,29H,1,15,20H2,2-7H3;8-14,16-19,24-26H,1,15,20H2,2-7H3/t23-,24?,25?,26?;/m0./s1.
What are the key properties of (2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one?
(2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one has a molecular weight of 967.40 g/mol, XLogP of 8.28, 20 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-ol;1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxypent-4-en-2-one is sourced from PubChem (CID 158808434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).