[(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate

C24H48O4Si2 — CID 11619466

IUPAC[(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate
SMILESC=CC[C@H](C[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)C=C
InChIInChI=1S/C24H48O4Si2/c1-14-16-20(26-22(25)15-2)18-21(28-30(12,13)24(7,8)9)17-19(3)27-29(10,11)23(4,5)6/h14-15,19-21H,1-2,16-18H2,3-13H3/t19-,20+,21-/m0/s1
InChIKeyALZJPCGYLAXHAF-HBMCJLEFSA-N
MW456.82 g/mol
LogP7.24
Rot. Bonds12

About [(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate

[(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate (PubChem CID 11619466) has the molecular formula C24H48O4Si2 and a molecular weight of 456.82 g/mol. Its IUPAC name is [(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate.

Molecular Properties

Compound Name[(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate
PubChem CID11619466
Molecular FormulaC24H48O4Si2
Molecular Weight456.82 g/mol
Exact Mass456.31
IUPAC Name[(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate
SMILESC=CC[C@H](C[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)C=C
InChIInChI=1S/C24H48O4Si2/c1-14-16-20(26-22(25)15-2)18-21(28-30(12,13)24(7,8)9)17-19(3)27-29(10,11)23(4,5)6/h14-15,19-21H,1-2,16-18H2,3-13H3/t19-,20+,21-/m0/s1
InChIKeyALZJPCGYLAXHAF-HBMCJLEFSA-N
XLogP7.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.82
LogP ≤ 57.24
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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Frequently Asked Questions

What is the IUPAC name of [(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate?
The IUPAC name of [(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate (CID 11619466) is [(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate.
What is the SMILES notation for [(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate?
The canonical SMILES for [(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate is C=CC[C@H](C[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)C=C.
What is the InChIKey of [(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate?
The InChIKey is ALZJPCGYLAXHAF-HBMCJLEFSA-N. The full InChI is InChI=1S/C24H48O4Si2/c1-14-16-20(26-22(25)15-2)18-21(28-30(12,13)24(7,8)9)17-19(3)27-29(10,11)23(4,5)6/h14-15,19-21H,1-2,16-18H2,3-13H3/t19-,20+,21-/m0/s1.
What are the key properties of [(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate?
[(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate has a molecular weight of 456.82 g/mol, XLogP of 7.24, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate is sourced from PubChem (CID 11619466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).