tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate

C18H36O4Si — CID 11717171

IUPACtert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate
SMILESC=CC[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)OC(=O)OC(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-11-12-15(20-16(19)21-17(3,4)5)13-14(2)22-23(9,10)18(6,7)8/h11,14-15H,1,12-13H2,2-10H3/t14-,15+/m0/s1
InChIKeyLELZSXIMTCESGB-LSDHHAIUSA-N
MW344.57 g/mol
LogP5.68
Rot. Bonds7

About tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate

tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate (PubChem CID 11717171) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate
PubChem CID11717171
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Nametert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate
SMILESC=CC[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)OC(=O)OC(C)(C)C
InChIInChI=1S/C18H36O4Si/c1-11-12-15(20-16(19)21-17(3,4)5)13-14(2)22-23(9,10)18(6,7)8/h11,14-15H,1,12-13H2,2-10H3/t14-,15+/m0/s1
InChIKeyLELZSXIMTCESGB-LSDHHAIUSA-N
XLogP5.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.57
LogP ≤ 55.68
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-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane
CID 46218224
Tert-butyl 5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl carbonate
CID 135003004
tert-butyl [(Z,2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyloct-5-en-3-yl] carbonate
CID 10834061
tert-butyl [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] carbonate
CID 11823717
tert-butyl-[(4S,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxy-dimethylsilane
CID 45378999
tert-butyl [(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] carbonate
CID 101350385
tert-butyl-[(2R,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane
CID 101387430
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 [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate?
The IUPAC name of tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate (CID 11717171) is tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate.
What is the SMILES notation for tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate?
The canonical SMILES for tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate is C=CC[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)OC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate?
The InChIKey is LELZSXIMTCESGB-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-11-12-15(20-16(19)21-17(3,4)5)13-14(2)22-23(9,10)18(6,7)8/h11,14-15H,1,12-13H2,2-10H3/t14-,15+/m0/s1.
What are the key properties of tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate?
tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate has a molecular weight of 344.57 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(4R,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] carbonate is sourced from PubChem (CID 11717171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).