tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane

C20H38OSi — CID 134844349

IUPACtert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane
SMILESCC(C)=CCCC#CCC[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38OSi/c1-18(2)14-12-10-9-11-13-15-19(3)16-17-21-22(7,8)20(4,5)6/h14,19H,10,12-13,15-17H2,1-8H3/t19-/m0/s1
InChIKeySMUMNMSVIZMADU-IBGZPJMESA-N
MW322.61 g/mol
LogP6.56
Rot. Bonds8

About tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane

tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane (PubChem CID 134844349) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane
PubChem CID134844349
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Nametert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane
SMILESCC(C)=CCCC#CCC[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38OSi/c1-18(2)14-12-10-9-11-13-15-19(3)16-17-21-22(7,8)20(4,5)6/h14,19H,10,12-13,15-17H2,1-8H3/t19-/m0/s1
InChIKeySMUMNMSVIZMADU-IBGZPJMESA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Silane, [(3,7-dimethyl-6-octenyl)oxy]trimethyl-
CID 557338
tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
beta-Citronellol, TBDMS derivative
CID 11043851
bis[(3,7-Dimethyloct-6-en-1-yl)oxy](dimethyl)silane
CID 91697684
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
Tert-butyl(dimethyl)silyl (3R)-3,7-dimethyl-6-octenyl ether
CID 14336178
2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane
CID 134887198
tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane
CID 134963593
tert-butyl-dimethyl-[3-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]prop-2-ynoxy]silane
CID 134977778
tert-butyl-[[(3E,4E)-3-butylidene-4-ethylidenecyclopentyl]methoxy]-dimethylsilane
CID 134983389
Tert-butyl-dimethyl-[2-(3-methylcyclohex-3-en-1-yl)ethoxy]silane
CID 138974292

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane (CID 134844349) is tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane is CC(C)=CCCC#CCC[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane?
The InChIKey is SMUMNMSVIZMADU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H38OSi/c1-18(2)14-12-10-9-11-13-15-19(3)16-17-21-22(7,8)20(4,5)6/h14,19H,10,12-13,15-17H2,1-8H3/t19-/m0/s1.
What are the key properties of tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane?
tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane has a molecular weight of 322.61 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane is sourced from PubChem (CID 134844349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).