(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one

C15H30O2Si — CID 101028666

IUPAC(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)CC
InChIInChI=1S/C15H30O2Si/c1-9-11-14(12(3)13(16)10-2)17-18(7,8)15(4,5)6/h9,12,14H,1,10-11H2,2-8H3/t12-,14-/m0/s1
InChIKeyFNOBTAOMMIAUFL-JSGCOSHPSA-N
MW270.49 g/mol
LogP4.57
Rot. Bonds7

About (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one

(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one (PubChem CID 101028666) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one.

Molecular Properties

Compound Name(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one
PubChem CID101028666
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)CC
InChIInChI=1S/C15H30O2Si/c1-9-11-14(12(3)13(16)10-2)17-18(7,8)15(4,5)6/h9,12,14H,1,10-11H2,2-8H3/t12-,14-/m0/s1
InChIKeyFNOBTAOMMIAUFL-JSGCOSHPSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-1-en-3-one
CID 51002595
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-1,7-dien-3-one
CID 52912612
(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one
CID 53328469
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal
CID 102111757
(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal
CID 134854809
(E,4R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,3-dimethylhept-6-en-2-one
CID 134856833
(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134857529
1-[1-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]cyclopropyl]ethanone
CID 134870674
(4R,5S,6S,7Z)-4,6-dimethyl-5-trimethylsilyloxydeca-7,9-dien-3-one
CID 134966593
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
(2S,3R)-2-methyl-3-triethylsilyloxyhex-5-enal
CID 135041296
(2R,3R,4R)-2,4-dimethyl-3-triethylsilyloxyhex-5-enal
CID 138979488

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one?
The IUPAC name of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one (CID 101028666) is (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one.
What is the SMILES notation for (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one?
The canonical SMILES for (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one is C=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)CC.
What is the InChIKey of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one?
The InChIKey is FNOBTAOMMIAUFL-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-9-11-14(12(3)13(16)10-2)17-18(7,8)15(4,5)6/h9,12,14H,1,10-11H2,2-8H3/t12-,14-/m0/s1.
What are the key properties of (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one?
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one has a molecular weight of 270.49 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-7-en-3-one is sourced from PubChem (CID 101028666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).