[(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate

C28H48O4Si — CID 71528350

IUPAC[(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate
SMILESC/C=C(C)/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C/C/C(C)=C/COC(=O)OC
InChIInChI=1S/C28H48O4Si/c1-13-21(2)19-24(5)26(32-33(11,12)28(7,8)9)25(6)20-23(4)16-14-15-22(3)17-18-31-27(29)30-10/h13-14,16-17,19-20,25-26H,15,18H2,1-12H3/b16-14+,21-13+,22-17+,23-20+,24-19+/t25-,26+/m1/s1
InChIKeyBXZZEUCCSPVGQS-WLFPRTFFSA-N
MW476.77 g/mol
LogP8.55
Rot. Bonds11

About [(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate

[(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate (PubChem CID 71528350) has the molecular formula C28H48O4Si and a molecular weight of 476.77 g/mol. Its IUPAC name is [(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate.

Molecular Properties

Compound Name[(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate
PubChem CID71528350
Molecular FormulaC28H48O4Si
Molecular Weight476.77 g/mol
Exact Mass476.33
IUPAC Name[(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate
SMILESC/C=C(C)/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C/C/C(C)=C/COC(=O)OC
InChIInChI=1S/C28H48O4Si/c1-13-21(2)19-24(5)26(32-33(11,12)28(7,8)9)25(6)20-23(4)16-14-15-22(3)17-18-31-27(29)30-10/h13-14,16-17,19-20,25-26H,15,18H2,1-12H3/b16-14+,21-13+,22-17+,23-20+,24-19+/t25-,26+/m1/s1
InChIKeyBXZZEUCCSPVGQS-WLFPRTFFSA-N
XLogP8.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.77
LogP ≤ 58.55
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': 'polyene', 'substructure': 'N/A'}

Analyze [(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate?
The IUPAC name of [(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate (CID 71528350) is [(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate.
What is the SMILES notation for [(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate?
The canonical SMILES for [(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate is C/C=C(C)/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C/C/C(C)=C/COC(=O)OC.
What is the InChIKey of [(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate?
The InChIKey is BXZZEUCCSPVGQS-WLFPRTFFSA-N. The full InChI is InChI=1S/C28H48O4Si/c1-13-21(2)19-24(5)26(32-33(11,12)28(7,8)9)25(6)20-23(4)16-14-15-22(3)17-18-31-27(29)30-10/h13-14,16-17,19-20,25-26H,15,18H2,1-12H3/b16-14+,21-13+,22-17+,23-20+,24-19+/t25-,26+/m1/s1.
What are the key properties of [(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate?
[(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate has a molecular weight of 476.77 g/mol, XLogP of 8.55, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,5E,7E,9R,10R,11E,13E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,9,11,13-pentamethylpentadeca-2,5,7,11,13-pentaenyl] methyl carbonate is sourced from PubChem (CID 71528350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).