triethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane

C27H54O3Si2 — CID 72723811

IUPACtriethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane
SMILESC=CC[C@@H](C[C@H](C[C@H](C)C/C=C/C(=C)O[Si](CC)(CC)CC)OC)O[Si](CC)(CC)CC
InChIInChI=1S/C27H54O3Si2/c1-11-19-26(30-32(15-5,16-6)17-7)23-27(28-10)22-24(8)20-18-21-25(9)29-31(12-2,13-3)14-4/h11,18,21,24,26-27H,1,9,12-17,19-20,22-23H2,2-8,10H3/b21-18+/t24-,26+,27+/m1/s1
InChIKeyXHDUQGHBHYPWRC-WVTWBVGLSA-N
MW482.90 g/mol
LogP8.87
Rot. Bonds20

About triethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane

triethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane (PubChem CID 72723811) has the molecular formula C27H54O3Si2 and a molecular weight of 482.90 g/mol. Its IUPAC name is triethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane
PubChem CID72723811
Molecular FormulaC27H54O3Si2
Molecular Weight482.90 g/mol
Exact Mass482.36
IUPAC Nametriethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane
SMILESC=CC[C@@H](C[C@H](C[C@H](C)C/C=C/C(=C)O[Si](CC)(CC)CC)OC)O[Si](CC)(CC)CC
InChIInChI=1S/C27H54O3Si2/c1-11-19-26(30-32(15-5,16-6)17-7)23-27(28-10)22-24(8)20-18-21-25(9)29-31(12-2,13-3)14-4/h11,18,21,24,26-27H,1,9,12-17,19-20,22-23H2,2-8,10H3/b21-18+/t24-,26+,27+/m1/s1
InChIKeyXHDUQGHBHYPWRC-WVTWBVGLSA-N
XLogP8.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.90
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol
CID 122388230
1-but-3-enoxypent-4-en-2-yloxy(triethyl)silane
CID 100965709
2-methoxypent-4-en-1-ol
CID 90985403
triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane
CID 11565216
4,6,8,10,12,14,16-heptamethoxy-17-methyltricosa-1,17-diene
CID 73090780
(4S,6S,8S,10S,12S,14S,16S,17E)-4,6,8,10,12,14,16-heptamethoxy-17-methyltricosa-1,17-diene
CID 11763299
(4S,6R,8R,10R,12R,14R)-6,8,10,12,14-pentamethoxy-4-(methoxymethoxy)nonadec-1-ene
CID 46844562
(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-ol
CID 53328468
4,5-dimethoxypent-1-ene
CID 73040162
(2S,6R)-6-methoxynon-8-en-2-ol
CID 46186048
6-methyl-2-(6-methyldodeca-1,3-dien-2-yloxy)dodeca-1,3-diene
CID 141011255
methyl-[(2S,4E,6E,8S,10S,12S,14S)-8,10,12,14-tetramethoxy-5,7-dimethylheptadeca-4,6,16-trien-2-yl]azanide
CID 163116873

Frequently Asked Questions

What is the IUPAC name of triethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane?
The IUPAC name of triethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane (CID 72723811) is triethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane.
What is the SMILES notation for triethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane?
The canonical SMILES for triethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane is C=CC[C@@H](C[C@H](C[C@H](C)C/C=C/C(=C)O[Si](CC)(CC)CC)OC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane?
The InChIKey is XHDUQGHBHYPWRC-WVTWBVGLSA-N. The full InChI is InChI=1S/C27H54O3Si2/c1-11-19-26(30-32(15-5,16-6)17-7)23-27(28-10)22-24(8)20-18-21-25(9)29-31(12-2,13-3)14-4/h11,18,21,24,26-27H,1,9,12-17,19-20,22-23H2,2-8,10H3/b21-18+/t24-,26+,27+/m1/s1.
What are the key properties of triethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane?
triethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane has a molecular weight of 482.90 g/mol, XLogP of 8.87, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3E,6R,8S,10S)-8-methoxy-6-methyl-10-triethylsilyloxytrideca-1,3,12-trien-2-yl]oxysilane is sourced from PubChem (CID 72723811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).