3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione

C18H34O3Si — CID 134956328

IUPAC3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione
SMILESC=C[C@@](C)(C(C(C)=O)C(C)=O)C(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-12-18(9,15(13(2)19)14(3)20)17(7,8)21-22(10,11)16(4,5)6/h12,15H,1H2,2-11H3/t18-/m0/s1
InChIKeyLVAUJOOEWFHQSF-SFHVURJKSA-N
MW326.55 g/mol
LogP4.77
Rot. Bonds7

About 3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione

3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione (PubChem CID 134956328) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is 3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione.

Molecular Properties

Compound Name3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione
PubChem CID134956328
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione
SMILESC=C[C@@](C)(C(C(C)=O)C(C)=O)C(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-12-18(9,15(13(2)19)14(3)20)17(7,8)21-22(10,11)16(4,5)6/h12,15H,1H2,2-11H3/t18-/m0/s1
InChIKeyLVAUJOOEWFHQSF-SFHVURJKSA-N
XLogP4.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione with MolForge

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Related Compounds

(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
CID 553195
tert-butyl-(2,3-dimethylbut-3-en-2-yloxy)-dimethylsilane
CID 12568514
2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
CID 18962902
(E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid
CID 11101162
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
CID 123565815
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
(3R,4S,5R,7S,8S,9R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethylundeca-1,10-dien-6-one
CID 11648709
(NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine
CID 11796022
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
CID 10633359
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-2-one
CID 42643391

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione?
The IUPAC name of 3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione (CID 134956328) is 3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione.
What is the SMILES notation for 3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione?
The canonical SMILES for 3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione is C=C[C@@](C)(C(C(C)=O)C(C)=O)C(C)(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione?
The InChIKey is LVAUJOOEWFHQSF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-12-18(9,15(13(2)19)14(3)20)17(7,8)21-22(10,11)16(4,5)6/h12,15H,1H2,2-11H3/t18-/m0/s1.
What are the key properties of 3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione?
3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione has a molecular weight of 326.55 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione is sourced from PubChem (CID 134956328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).