(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one

C15H30O2Si — CID 58420718

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

About (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one

(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one (PubChem CID 58420718) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one.

Molecular Properties

Compound Name(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one
PubChem CID58420718
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one
SMILESC=CC[C@H](C)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C15H30O2Si/c1-9-10-12(2)11-14(13(3)16)17-18(7,8)15(4,5)6/h9,12,14H,1,10-11H2,2-8H3/t12-,14-/m0/s1
InChIKeyMANQXFRXFSSGGW-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'}

Analyze (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal
CID 134992611
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]octa-1,7-dien-3-one
CID 52912612
(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134857529
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
CID 134930661
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
2-[Tert-butyl(dimethyl)silyl]oxyhept-6-enal
CID 135036802
3-Triethylsilyloxyoct-7-en-2-one
CID 135036851
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloct-7-en-2-one
CID 154718743
2-Ethyl-4-trimethylsilyloxyhept-6-enal
CID 57252947
(4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-1,8-dien-3-one
CID 16070727
(2R,3R)-3-methyl-2-triethylsilyloxyhex-5-enal
CID 71531666
(2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-enal
CID 72545713

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one?
The IUPAC name of (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one (CID 58420718) is (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one.
What is the SMILES notation for (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one?
The canonical SMILES for (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one is C=CC[C@H](C)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O.
What is the InChIKey of (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one?
The InChIKey is MANQXFRXFSSGGW-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-9-10-12(2)11-14(13(3)16)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 (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one?
(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-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 (3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-7-en-2-one is sourced from PubChem (CID 58420718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).