[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate

C17H33IO3Si — CID 134831842

IUPAC[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate
SMILESCC(=O)OC(C)C(C)(C)[C@@H](CC=CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33IO3Si/c1-13(20-14(2)19)17(6,7)15(11-10-12-18)21-22(8,9)16(3,4)5/h10,12-13,15H,11H2,1-9H3/t13?,15-/m1/s1
InChIKeyFTDOCSYGYWEESQ-AWKYBWMHSA-N
MW440.44 g/mol
LogP5.69
Rot. Bonds7

About [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate

[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate (PubChem CID 134831842) has the molecular formula C17H33IO3Si and a molecular weight of 440.44 g/mol. Its IUPAC name is [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate.

Molecular Properties

Compound Name[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate
PubChem CID134831842
Molecular FormulaC17H33IO3Si
Molecular Weight440.44 g/mol
Exact Mass440.12
IUPAC Name[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate
SMILESCC(=O)OC(C)C(C)(C)[C@@H](CC=CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33IO3Si/c1-13(20-14(2)19)17(6,7)15(11-10-12-18)21-22(8,9)16(3,4)5/h10,12-13,15H,11H2,1-9H3/t13?,15-/m1/s1
InChIKeyFTDOCSYGYWEESQ-AWKYBWMHSA-N
XLogP5.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.44
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-yl] acetate
CID 134887120
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnon-8-en-2-ynoate
CID 135072439
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodohex-5-enyl] 2,2-dimethylpropanoate
CID 11224448
[(4S,5S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate
CID 11609129
[(2R,3R,4R)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyhex-5-enyl] 2,2-dimethylpropanoate
CID 11794464
Ethyl 5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylnon-8-en-2-ynoate
CID 101016002
[(E,2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-en-3-yl] acetate
CID 101800845
[(5R)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-yl] acetate
CID 101843190
[(4S,5S,6R,7E)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-5,7-dimethylnona-1,7-dien-4-yl] 2,2-dimethylpropanoate
CID 177473709
[(4S,5S,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-9-iodo-5,7-dimethylnona-1,7-dien-4-yl] 2,2-dimethylpropanoate
CID 177564160

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate?
The IUPAC name of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate (CID 134831842) is [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate.
What is the SMILES notation for [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate?
The canonical SMILES for [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate is CC(=O)OC(C)C(C)(C)[C@@H](CC=CI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate?
The InChIKey is FTDOCSYGYWEESQ-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H33IO3Si/c1-13(20-14(2)19)17(6,7)15(11-10-12-18)21-22(8,9)16(3,4)5/h10,12-13,15H,11H2,1-9H3/t13?,15-/m1/s1.
What are the key properties of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate?
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate has a molecular weight of 440.44 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-yl] acetate is sourced from PubChem (CID 134831842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).