[(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate

C21H38O5Si2 — CID 11350818

IUPAC[(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate
SMILESCC(=O)OC/C(=C\[Si](C)(C)C(C)(C)C)CC(CC1=CCO[Si]1(C)C)OC(C)=O
InChIInChI=1S/C21H38O5Si2/c1-16(22)24-14-18(15-27(6,7)21(3,4)5)12-19(26-17(2)23)13-20-10-11-25-28(20,8)9/h10,15,19H,11-14H2,1-9H3/b18-15-
InChIKeyUBRFZYLPGCWKKA-SDXDJHTJSA-N
MW426.70 g/mol
LogP4.94
Rot. Bonds8

About [(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate

[(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate (PubChem CID 11350818) has the molecular formula C21H38O5Si2 and a molecular weight of 426.70 g/mol. Its IUPAC name is [(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate.

Molecular Properties

Compound Name[(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate
PubChem CID11350818
Molecular FormulaC21H38O5Si2
Molecular Weight426.70 g/mol
Exact Mass426.23
IUPAC Name[(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate
SMILESCC(=O)OC/C(=C\[Si](C)(C)C(C)(C)C)CC(CC1=CCO[Si]1(C)C)OC(C)=O
InChIInChI=1S/C21H38O5Si2/c1-16(22)24-14-18(15-27(6,7)21(3,4)5)12-19(26-17(2)23)13-20-10-11-25-28(20,8)9/h10,15,19H,11-14H2,1-9H3/b18-15-
InChIKeyUBRFZYLPGCWKKA-SDXDJHTJSA-N
XLogP4.94
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.70
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]acetate
CID 9823928
(2S)-3-methyl-2-[(1R,2R)-2-[(2S)-3-methyl-5-oxo-2H-furan-2-yl]-1,2-bis(trimethylsilyloxy)ethyl]-2H-furan-5-one
CID 10862237
[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
ethyl (E)-3-[(2R,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-oxoethylidene)oxan-2-yl]prop-2-enoate
CID 15934809
ethyl (E,7R,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enoate
CID 101549967
[(1S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-4-trimethylsilyloxycyclohex-3-en-1-yl] acetate
CID 134836941
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-enoate
CID 135012258
(3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione
CID 138976732
[(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-3-en-2-yl] acetate
CID 139263528
4-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-enyl]-2-methyl-2H-furan-5-one
CID 10892707
[(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate
CID 10917850
ethyl (E,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyloct-2-enoate
CID 11224583

Frequently Asked Questions

What is the IUPAC name of [(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate?
The IUPAC name of [(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate (CID 11350818) is [(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate.
What is the SMILES notation for [(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate?
The canonical SMILES for [(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate is CC(=O)OC/C(=C\[Si](C)(C)C(C)(C)C)CC(CC1=CCO[Si]1(C)C)OC(C)=O.
What is the InChIKey of [(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate?
The InChIKey is UBRFZYLPGCWKKA-SDXDJHTJSA-N. The full InChI is InChI=1S/C21H38O5Si2/c1-16(22)24-14-18(15-27(6,7)21(3,4)5)12-19(26-17(2)23)13-20-10-11-25-28(20,8)9/h10,15,19H,11-14H2,1-9H3/b18-15-.
What are the key properties of [(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate?
[(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate has a molecular weight of 426.70 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-4-acetyloxy-2-[[tert-butyl(dimethyl)silyl]methylidene]-5-(2,2-dimethyl-5H-oxasilol-3-yl)pentyl] acetate is sourced from PubChem (CID 11350818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).