(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one

C15H30O2Si — CID 90948310

IUPAC(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one
SMILESCC[C@@H](C=C(C)C(C)=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-9-14(10-12(2)13(3)16)11-17-18(7,8)15(4,5)6/h10,14H,9,11H2,1-8H3/t14-/m0/s1
InChIKeyMSIQNLVJXJPHGA-AWEZNQCLSA-N
MW270.49 g/mol
LogP4.57
Rot. Bonds6

About (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one

(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one (PubChem CID 90948310) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one.

Molecular Properties

Compound Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one
PubChem CID90948310
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one
SMILESCC[C@@H](C=C(C)C(C)=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-9-14(10-12(2)13(3)16)11-17-18(7,8)15(4,5)6/h10,14H,9,11H2,1-8H3/t14-/m0/s1
InChIKeyMSIQNLVJXJPHGA-AWEZNQCLSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-3-en-2-one
CID 89345062
tert-butyl-(2-ethylbut-3-enoxy)-dimethylsilane
CID 86646162
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-2-one
CID 42643391
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 11558121
5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione
CID 121003661
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
[(2R,3S)-3-bromo-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 23254785

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one?
The IUPAC name of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one (CID 90948310) is (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one.
What is the SMILES notation for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one?
The canonical SMILES for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one is CC[C@@H](C=C(C)C(C)=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one?
The InChIKey is MSIQNLVJXJPHGA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-9-14(10-12(2)13(3)16)11-17-18(7,8)15(4,5)6/h10,14H,9,11H2,1-8H3/t14-/m0/s1.
What are the key properties of (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one?
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one has a molecular weight of 270.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhept-3-en-2-one is sourced from PubChem (CID 90948310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).