[(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate

C26H50O3Si — CID 11826286

IUPAC[(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate
SMILESC=CCCC(=O)O[C@H](CCCCC)CCCCC[C@H](CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H50O3Si/c1-9-12-15-19-23(28-25(27)22-13-10-2)20-16-14-17-21-24(18-11-3)29-30(7,8)26(4,5)6/h10-11,23-24H,2-3,9,12-22H2,1,4-8H3/t23-,24+/m1/s1
InChIKeyZAZQMMJJQQWQSY-RPWUZVMVSA-N
MW438.77 g/mol
LogP8.36
Rot. Bonds18

About [(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate

[(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate (PubChem CID 11826286) has the molecular formula C26H50O3Si and a molecular weight of 438.77 g/mol. Its IUPAC name is [(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate.

Molecular Properties

Compound Name[(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate
PubChem CID11826286
Molecular FormulaC26H50O3Si
Molecular Weight438.77 g/mol
Exact Mass438.35
IUPAC Name[(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate
SMILESC=CCCC(=O)O[C@H](CCCCC)CCCCC[C@H](CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H50O3Si/c1-9-12-15-19-23(28-25(27)22-13-10-2)20-16-14-17-21-24(18-11-3)29-30(7,8)26(4,5)6/h10-11,23-24H,2-3,9,12-22H2,1,4-8H3/t23-,24+/m1/s1
InChIKeyZAZQMMJJQQWQSY-RPWUZVMVSA-N
XLogP8.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.77
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (3R,6S)-6-(triisopropylsiloxy)-3,4-tridecadienoate
CID 11825755
ethyl (E)-9-triethylsilylnon-8-enoate
CID 12996061
[(3R,4S,6R)-3,4-bis[tri(propan-2-yl)silyloxy]tridec-1-en-6-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 56594146
[(E)-1-triethylsilyldec-1-en-3-yl] acetate
CID 101544369
[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate
CID 135079804
Hexadec-9-enoic acid, 7-tert-butyldimethylsilyloxy-, methyl ester
CID 6421210
(5E,8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-1-oxacyclotetradec-5-en-2-one
CID 10862501
Methyl 15-hydroxy-9,12-octadecadienoate, TMS derivative
CID 91718975
methyl (Z,12R)-12-trimethylsilyloxyoctadec-9-enoate
CID 162981873
ethyl (E)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enoate
CID 10071970
ethyl (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enoate
CID 10478458
methyl (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enoate
CID 10598555

Frequently Asked Questions

What is the IUPAC name of [(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate?
The IUPAC name of [(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate (CID 11826286) is [(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate.
What is the SMILES notation for [(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate?
The canonical SMILES for [(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate is C=CCCC(=O)O[C@H](CCCCC)CCCCC[C@H](CC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate?
The InChIKey is ZAZQMMJJQQWQSY-RPWUZVMVSA-N. The full InChI is InChI=1S/C26H50O3Si/c1-9-12-15-19-23(28-25(27)22-13-10-2)20-16-14-17-21-24(18-11-3)29-30(7,8)26(4,5)6/h10-11,23-24H,2-3,9,12-22H2,1,4-8H3/t23-,24+/m1/s1.
What are the key properties of [(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate?
[(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate has a molecular weight of 438.77 g/mol, XLogP of 8.36, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxypentadec-14-en-6-yl] pent-4-enoate is sourced from PubChem (CID 11826286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).