tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane

C18H34OSi — CID 10266482

IUPACtert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane
SMILESC/C=C/C(C)=C/[C@@H](C)[C@@H](/C=C/C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-10-12-15(3)14-16(4)17(13-11-2)19-20(8,9)18(5,6)7/h10-14,16-17H,1-9H3/b12-10+,13-11+,15-14+/t16-,17-/m1/s1
InChIKeyUHRZYKDFGAYEKC-ZPMDPFESSA-N
MW294.56 g/mol
LogP6.11
Rot. Bonds6

About tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane

tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane (PubChem CID 10266482) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane
PubChem CID10266482
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane
SMILESC/C=C/C(C)=C/[C@@H](C)[C@@H](/C=C/C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-10-12-15(3)14-16(4)17(13-11-2)19-20(8,9)18(5,6)7/h10-14,16-17H,1-9H3/b12-10+,13-11+,15-14+/t16-,17-/m1/s1
InChIKeyUHRZYKDFGAYEKC-ZPMDPFESSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enal
CID 10955754
(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
CID 10706254
(E,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-5-enal
CID 101391066
(5S,6R,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dien-1-ol
CID 90951994
2-[tert-butyl(dimethyl)silyl]oxyhex-4-en-3-one
CID 173049340
(4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienal
CID 123436052
ethyl (Z,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhex-4-enoate
CID 101498297
methyl (2E,4E,6R,7R,8E)-9-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4,6,8-trimethylnona-2,4,8-trienoate
CID 71528231
(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
CID 10334877
methyl (2E,5R,6S,7S,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 11259620
tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane
CID 135036510
1-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-amine
CID 175848206

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane (CID 10266482) is tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane is C/C=C/C(C)=C/[C@@H](C)[C@@H](/C=C/C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane?
The InChIKey is UHRZYKDFGAYEKC-ZPMDPFESSA-N. The full InChI is InChI=1S/C18H34OSi/c1-10-12-15(3)14-16(4)17(13-11-2)19-20(8,9)18(5,6)7/h10-14,16-17H,1-9H3/b12-10+,13-11+,15-14+/t16-,17-/m1/s1.
What are the key properties of tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane?
tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,4R,5R,6E,8E)-5,7-dimethyldeca-2,6,8-trien-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 10266482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).