ethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate

C24H46O3Si — CID 11825755

IUPACethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate
SMILESCCCCCCC[C@@H](C=C=CCC(=O)OCC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H46O3Si/c1-9-11-12-13-14-17-23(18-15-16-19-24(25)26-10-2)27-28(20(3)4,21(5)6)22(7)8/h16,18,20-23H,9-14,17,19H2,1-8H3/t15?,23-/m0/s1
InChIKeyOPDBSCOPYVVFAM-GMTBNIFVSA-N
MW410.72 g/mol
LogP7.57
Rot. Bonds15

About ethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate

ethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate (PubChem CID 11825755) has the molecular formula C24H46O3Si and a molecular weight of 410.72 g/mol. Its IUPAC name is ethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate.

Molecular Properties

Compound Nameethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate
PubChem CID11825755
Molecular FormulaC24H46O3Si
Molecular Weight410.72 g/mol
Exact Mass410.32
IUPAC Nameethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate
SMILESCCCCCCC[C@@H](C=C=CCC(=O)OCC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H46O3Si/c1-9-11-12-13-14-17-23(18-15-16-19-24(25)26-10-2)27-28(20(3)4,21(5)6)22(7)8/h16,18,20-23H,9-14,17,19H2,1-8H3/t15?,23-/m0/s1
InChIKeyOPDBSCOPYVVFAM-GMTBNIFVSA-N
XLogP7.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.72
LogP ≤ 57.57
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'}

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Related Compounds

[(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
(5E,8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-1-oxacyclotetradec-5-en-2-one
CID 10862501
8-(Triethylsilyloxy)cyclotridec-6-enyl acetate
CID 67068113
(6-Triethylsilyloxycyclododec-4-en-1-yl) acetate
CID 67068118
(6-Triethylsilyloxycyclotridec-4-en-1-yl) acetate
CID 67068124
(E)-6-(triethylsiloxy)cyclododec-4-enyl acetate
CID 86668324
(E)-6-(triethylsilyloxy)cyclotridec-4-enyl acetate
CID 86668337
[(6Z)-8-triethylsilyloxycyclotridec-6-en-1-yl] acetate
CID 87256833
[(6E)-8-triethylsilyloxycyclotridec-6-en-1-yl] acetate
CID 87256834
Undec-10-enyl 2-trimethylsilylacetate
CID 88523333
7-[Tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate
CID 139889078

Frequently Asked Questions

What is the IUPAC name of ethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate?
The IUPAC name of ethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate (CID 11825755) is ethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate.
What is the SMILES notation for ethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate?
The canonical SMILES for ethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate is CCCCCCC[C@@H](C=C=CCC(=O)OCC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate?
The InChIKey is OPDBSCOPYVVFAM-GMTBNIFVSA-N. The full InChI is InChI=1S/C24H46O3Si/c1-9-11-12-13-14-17-23(18-15-16-19-24(25)26-10-2)27-28(20(3)4,21(5)6)22(7)8/h16,18,20-23H,9-14,17,19H2,1-8H3/t15?,23-/m0/s1.
What are the key properties of ethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate?
ethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate has a molecular weight of 410.72 g/mol, XLogP of 7.57, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6S)-6-tri(propan-2-yl)silyloxytrideca-3,4-dienoate is sourced from PubChem (CID 11825755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).