tert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane

C18H38OSi — CID 166449030

IUPACtert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane
SMILESC=C[C@@H](C)CC[C@@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38OSi/c1-9-11-12-13-17(15-14-16(3)10-2)19-20(7,8)18(4,5)6/h10,16-17H,2,9,11-15H2,1,3-8H3/t16-,17-/m1/s1
InChIKeyGGYRMKAZYRAFGD-IAGOWNOFSA-N
MW298.59 g/mol
LogP6.56
Rot. Bonds10

About tert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane

tert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane (PubChem CID 166449030) has the molecular formula C18H38OSi and a molecular weight of 298.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane
PubChem CID166449030
Molecular FormulaC18H38OSi
Molecular Weight298.59 g/mol
Exact Mass298.27
IUPAC Nametert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane
SMILESC=C[C@@H](C)CC[C@@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38OSi/c1-9-11-12-13-17(15-14-16(3)10-2)19-20(7,8)18(4,5)6/h10,16-17H,2,9,11-15H2,1,3-8H3/t16-,17-/m1/s1
InChIKeyGGYRMKAZYRAFGD-IAGOWNOFSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.59
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'}

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Related Compounds

Tert-butyl(dec-9-enyloxy)dimethylsilane
CID 10869380
1-Nonen-3-ol, tert-butyldimethylsilyl ether
CID 10868924
Silane, (1,1-dimethylethyl)dimethyl(10-undecenyloxy)-
CID 10265922
tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
CID 151528866
trans-3-tert-Butyldimethylsilyloxy-1-tributylstannyl-1-octene
CID 10414672
Tert-butyl-dimethyl-(1-tributylstannyloct-1-en-3-yloxy)silane
CID 72836218
tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
tert-butyl-dimethyl-[(4S)-2-methyl-6-methylideneoct-7-en-4-yl]oxysilane
CID 11196461
tert-butyl-[(2R)-2-ethenyloctoxy]-dimethylsilane
CID 11818090
triethyl-[(Z)-1-trimethylsilylnon-1-en-4-yl]oxysilane
CID 11953737

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane (CID 166449030) is tert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane is C=C[C@@H](C)CC[C@@H](CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane?
The InChIKey is GGYRMKAZYRAFGD-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H38OSi/c1-9-11-12-13-17(15-14-16(3)10-2)19-20(7,8)18(4,5)6/h10,16-17H,2,9,11-15H2,1,3-8H3/t16-,17-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane?
tert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane has a molecular weight of 298.59 g/mol, XLogP of 6.56, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,6R)-3-methylundec-1-en-6-yl]oxysilane is sourced from PubChem (CID 166449030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).