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

C20H36O5Si — CID 139261291

IUPAC[(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=CC(CC[C@@H](C)OC(=O)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C20H36O5Si/c1-10-17(24-16(4)21)13-12-15(3)23-19(22)14-18(11-2)25-26(8,9)20(5,6)7/h10-11,15,17-18H,1-2,12-14H2,3-9H3/t15-,17?,18-/m1/s1
InChIKeyZACYDJJGQLAPOF-NEBWYHTOSA-N
MW384.59 g/mol
LogP4.78
Rot. Bonds11

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

[(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (PubChem CID 139261291) has the molecular formula C20H36O5Si and a molecular weight of 384.59 g/mol. Its IUPAC name is [(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.

Molecular Properties

Compound Name[(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
PubChem CID139261291
Molecular FormulaC20H36O5Si
Molecular Weight384.59 g/mol
Exact Mass384.23
IUPAC Name[(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
SMILESC=CC(CC[C@@H](C)OC(=O)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C20H36O5Si/c1-10-17(24-16(4)21)13-12-15(3)23-19(22)14-18(11-2)25-26(8,9)20(5,6)7/h10-11,15,17-18H,1-2,12-14H2,3-9H3/t15-,17?,18-/m1/s1
InChIKeyZACYDJJGQLAPOF-NEBWYHTOSA-N
XLogP4.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

[(2R)-5-oxohept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 102443003
Ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 138976074
[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate
CID 11380641
methyl (3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhex-5-enoate
CID 10356788
[(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-4-yl] hex-5-enoate
CID 16085096
[(2R,5R)-5-(methoxymethoxy)hept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 24938601
[(3S)-6-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-3-yl] acetate
CID 25214793
[(2R,5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 44190403
[(2R)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 71474718
[(3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-1-en-3-yl] propanoate
CID 71745412
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxydec-4-enoate
CID 100916411
Pentan-3-yl 3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenepentanoate
CID 101115910

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The IUPAC name of [(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate (CID 139261291) is [(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate.
What is the SMILES notation for [(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The canonical SMILES for [(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is C=CC(CC[C@@H](C)OC(=O)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of [(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
The InChIKey is ZACYDJJGQLAPOF-NEBWYHTOSA-N. The full InChI is InChI=1S/C20H36O5Si/c1-10-17(24-16(4)21)13-12-15(3)23-19(22)14-18(11-2)25-26(8,9)20(5,6)7/h10-11,15,17-18H,1-2,12-14H2,3-9H3/t15-,17?,18-/m1/s1.
What are the key properties of [(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate?
[(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate has a molecular weight of 384.59 g/mol, XLogP of 4.78, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-acetyloxyhept-6-en-2-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate is sourced from PubChem (CID 139261291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).