[(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

C18H32O4Si — CID 102443003

IUPAC[(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=CC(=O)CC[C@@H](C)OC(=O)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O4Si/c1-9-15(19)12-11-14(3)21-17(20)13-16(10-2)22-23(7,8)18(4,5)6/h9-10,14,16H,1-2,11-13H2,3-8H3/t14-,16-/m1/s1
InChIKeyIYPGBQYODBGKQN-GDBMZVCRSA-N
MW340.54 g/mol
LogP4.42
Rot. Bonds10

About [(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate

[(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (PubChem CID 102443003) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is [(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.

Molecular Properties

Compound Name[(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
PubChem CID102443003
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Name[(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=CC(=O)CC[C@@H](C)OC(=O)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O4Si/c1-9-15(19)12-11-14(3)21-17(20)13-16(10-2)22-23(7,8)18(4,5)6/h9-10,14,16H,1-2,11-13H2,3-8H3/t14-,16-/m1/s1
InChIKeyIYPGBQYODBGKQN-GDBMZVCRSA-N
XLogP4.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

[(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 139261291
(2R,6Z,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4,8,9-tetrahydro-2H-oxecine-5,10-dione
CID 139261292
[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-4-yl] hex-5-enoate
CID 16085096
[(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 44190403
Pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate
CID 101115910
[(2S)-hept-6-en-2-yl] 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 101501670

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The IUPAC name of [(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (CID 102443003) is [(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.
What is the SMILES notation for [(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The canonical SMILES for [(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is C=CC(=O)CC[C@@H](C)OC(=O)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The InChIKey is IYPGBQYODBGKQN-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-9-15(19)12-11-14(3)21-17(20)13-16(10-2)22-23(7,8)18(4,5)6/h9-10,14,16H,1-2,11-13H2,3-8H3/t14-,16-/m1/s1.
What are the key properties of [(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
[(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate has a molecular weight of 340.54 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is sourced from PubChem (CID 102443003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).