[(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate

C18H34O3Si — CID 44550187

IUPAC[(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
SMILESC=CC[C@@H](C)OC(=O)CCC[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-9-12-15(3)20-17(19)14-11-13-16(10-2)21-22(7,8)18(4,5)6/h9-10,15-16H,1-2,11-14H2,3-8H3/t15-,16+/m1/s1
InChIKeyKSZLQXXHCWNQRO-CVEARBPZSA-N
MW326.55 g/mol
LogP5.24
Rot. Bonds10

About [(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate

[(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate (PubChem CID 44550187) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is [(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate.

Molecular Properties

Compound Name[(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
PubChem CID44550187
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name[(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
SMILESC=CC[C@@H](C)OC(=O)CCC[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-9-12-15(3)20-17(19)14-11-13-16(10-2)21-22(7,8)18(4,5)6/h9-10,15-16H,1-2,11-14H2,3-8H3/t15-,16+/m1/s1
InChIKeyKSZLQXXHCWNQRO-CVEARBPZSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.24
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'}

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Related Compounds

Methyl (5S,6R)-5,6-bis((tert-butyldimethylsilyl)oxy)oct-7-enoate
CID 23730578
methyl (E,5S)-7-bromo-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 13963464
(5S,6R,E)-methyl 5,6-bis(tert-butyldimethylsilyloxy)-8-iodooct-7-enoate
CID 86600623
ethyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-enoate
CID 12170568
methyl (5S,6Z,8E,10E,12R,14Z)-5,12-bis[[tert-butyl(dimethyl)silyl]oxy]icosa-6,8,10,14-tetraenoate
CID 13798086
methyl (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynoate
CID 13963468
methyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynoate
CID 13963469
(2R,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-propyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 57326434
Ethyl 5,6-bis[[tert-butyl(dimethyl)silyl]oxy]oct-7-enoate
CID 101937869
Methyl 3-{(2r)-2-[t-butyl(dimethyl)silyloxy]-heptyl}but-3-enoate
CID 129744158
Methyl 3-{(2s)-2-[t-butyl(dimethyl)silyloxy]-heptyl}but-3-enoate
CID 129750970
Methyl 3-[(2s)-2-{[t-butyl(dimethyl)silyl]oxy}-tridecyl]but-3-enoate
CID 129758635

Frequently Asked Questions

What is the IUPAC name of [(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate?
The IUPAC name of [(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate (CID 44550187) is [(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate.
What is the SMILES notation for [(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate?
The canonical SMILES for [(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate is C=CC[C@@H](C)OC(=O)CCC[C@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate?
The InChIKey is KSZLQXXHCWNQRO-CVEARBPZSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-9-12-15(3)20-17(19)14-11-13-16(10-2)21-22(7,8)18(4,5)6/h9-10,15-16H,1-2,11-14H2,3-8H3/t15-,16+/m1/s1.
What are the key properties of [(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate?
[(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate has a molecular weight of 326.55 g/mol, XLogP of 5.24, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate is sourced from PubChem (CID 44550187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).