[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate

C16H30O3Si — CID 11594572

IUPAC[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate
SMILESC=CC[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC(=O)C=C
InChIInChI=1S/C16H30O3Si/c1-9-11-14(18-15(17)10-2)12-13(3)19-20(7,8)16(4,5)6/h9-10,13-14H,1-2,11-12H2,3-8H3/t13-,14+/m1/s1
InChIKeyLGUQZOLDJOAZAS-KGLIPLIRSA-N
MW298.50 g/mol
LogP4.46
Rot. Bonds8

About [(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate

[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate (PubChem CID 11594572) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate.

Molecular Properties

Compound Name[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate
PubChem CID11594572
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate
SMILESC=CC[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC(=O)C=C
InChIInChI=1S/C16H30O3Si/c1-9-11-14(18-15(17)10-2)12-13(3)19-20(7,8)16(4,5)6/h9-10,13-14H,1-2,11-12H2,3-8H3/t13-,14+/m1/s1
InChIKeyLGUQZOLDJOAZAS-KGLIPLIRSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate 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

(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 11107972
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 11323534
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 23642892
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-yl] acetate
CID 45101605
[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] (E)-3-iodoprop-2-enoate
CID 46854982
[(3S)-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl] acetate
CID 53343505
(2S)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-6-one
CID 53343689
[1-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-yl] (E)-3-iodoprop-2-enoate
CID 135076905
[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-yl] prop-2-enoate
CID 138976584
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-oxepin-7-one
CID 138976731
ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate
CID 139252212
(S)-8-((tert-butyldimethylsilyl)oxy)oct-1-en-4-yl acrylate
CID 145865225

Frequently Asked Questions

What is the IUPAC name of [(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate?
The IUPAC name of [(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate (CID 11594572) is [(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate.
What is the SMILES notation for [(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate?
The canonical SMILES for [(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate is C=CC[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)OC(=O)C=C.
What is the InChIKey of [(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate?
The InChIKey is LGUQZOLDJOAZAS-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-9-11-14(18-15(17)10-2)12-13(3)19-20(7,8)16(4,5)6/h9-10,13-14H,1-2,11-12H2,3-8H3/t13-,14+/m1/s1.
What are the key properties of [(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate?
[(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate has a molecular weight of 298.50 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-yl] prop-2-enoate is sourced from PubChem (CID 11594572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).