[(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate

C19H32O3Si — CID 134865991

IUPAC[(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate
SMILESC#C[C@](C)(OC(=O)C=C)[C@@H](CCCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O3Si/c1-10-13-14-15-16(22-23(8,9)18(4,5)6)19(7,12-3)21-17(20)11-2/h3,10-11,16H,1-2,13-15H2,4-9H3/t16-,19+/m1/s1
InChIKeyKLYGRRFUQURDNN-APWZRJJASA-N
MW336.55 g/mol
LogP4.85
Rot. Bonds9

About [(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate

[(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate (PubChem CID 134865991) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is [(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate.

Molecular Properties

Compound Name[(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate
PubChem CID134865991
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Name[(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate
SMILESC#C[C@](C)(OC(=O)C=C)[C@@H](CCCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O3Si/c1-10-13-14-15-16(22-23(8,9)18(4,5)6)19(7,12-3)21-17(20)11-2/h3,10-11,16H,1-2,13-15H2,4-9H3/t16-,19+/m1/s1
InChIKeyKLYGRRFUQURDNN-APWZRJJASA-N
XLogP4.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate with MolForge

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Related Compounds

(7R)-7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-one
CID 10634857
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
CID 25001970
ethyl (3R)-2,2-dimethyl-3-trimethylsilyloxyoct-7-enoate
CID 11601670
4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
CID 553195
(2R,5S,6R,9R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyl-7-oxotetradec-13-enal
CID 134948843
(3R)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]oct-7-en-1-yn-3-ol
CID 101154486
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
[(Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enyl] prop-2-enoate
CID 174059908
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate
CID 50915307
2-cyanopropan-2-yl prop-2-enoate
CID 87192601
prop-2-enyl (2S,3R)-8-bromo-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloct-7-ynoate
CID 66560282
3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate?
The IUPAC name of [(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate (CID 134865991) is [(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate.
What is the SMILES notation for [(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate?
The canonical SMILES for [(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate is C#C[C@](C)(OC(=O)C=C)[C@@H](CCCC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate?
The InChIKey is KLYGRRFUQURDNN-APWZRJJASA-N. The full InChI is InChI=1S/C19H32O3Si/c1-10-13-14-15-16(22-23(8,9)18(4,5)6)19(7,12-3)21-17(20)11-2/h3,10-11,16H,1-2,13-15H2,4-9H3/t16-,19+/m1/s1.
What are the key properties of [(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate?
[(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate has a molecular weight of 336.55 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-8-en-1-yn-3-yl] prop-2-enoate is sourced from PubChem (CID 134865991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).