tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate

C16H32O4Si — CID 135003004

IUPACtert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate
SMILESC=CC(CCO[Si](C)(C)C(C)(C)C)OC(=O)OC(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-10-13(19-14(17)20-15(2,3)4)11-12-18-21(8,9)16(5,6)7/h10,13H,1,11-12H2,2-9H3
InChIKeyUOLDVAQYGZHOBM-UHFFFAOYSA-N
MW316.51 g/mol
LogP4.90
Rot. Bonds6

About tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate

tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate (PubChem CID 135003004) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate.

Molecular Properties

Compound Nametert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate
PubChem CID135003004
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Nametert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate
SMILESC=CC(CCO[Si](C)(C)C(C)(C)C)OC(=O)OC(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-10-13(19-14(17)20-15(2,3)4)11-12-18-21(8,9)16(5,6)7/h10,13H,1,11-12H2,2-9H3
InChIKeyUOLDVAQYGZHOBM-UHFFFAOYSA-N
XLogP4.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate
CID 11717171
tert-butyl-[(Z)-3-(methoxymethoxy)-5-tributylstannylpent-4-enoxy]-dimethylsilane
CID 10347502
tert-butyl-[(2R,4S)-4-(2-methoxyethoxymethoxy)hex-5-en-2-yl]oxy-dimethylsilane
CID 24823220
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] methyl carbonate
CID 53231196
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
CID 53231197
tert-butyl [(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] carbonate
CID 53231198
tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate
CID 101350385
6-[Tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl ethyl carbonate
CID 101426672
[(4S)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl] methyl carbonate
CID 101722435
tert-butyl [(2R)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate
CID 102333176
tert-butyl [(2S)-4-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] carbonate
CID 102333177

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate?
The IUPAC name of tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate (CID 135003004) is tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate.
What is the SMILES notation for tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate?
The canonical SMILES for tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate is C=CC(CCO[Si](C)(C)C(C)(C)C)OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate?
The InChIKey is UOLDVAQYGZHOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-10-13(19-14(17)20-15(2,3)4)11-12-18-21(8,9)16(5,6)7/h10,13H,1,11-12H2,2-9H3.
What are the key properties of tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate?
tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate has a molecular weight of 316.51 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate is sourced from PubChem (CID 135003004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).