tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane

C19H38O3Si — CID 11046144

IUPACtert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane
SMILESC=C(CC(C)C1(CC)OCCO1)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-10-19(20-11-12-21-19)16(3)13-15(2)14-17(4)22-23(8,9)18(5,6)7/h16-17H,2,10-14H2,1,3-9H3/t16?,17-/m1/s1
InChIKeyGUNFZEKKDHUABB-ZYMOGRSISA-N
MW342.60 g/mol
LogP5.52
Rot. Bonds8

About tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane (PubChem CID 11046144) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane
PubChem CID11046144
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Nametert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane
SMILESC=C(CC(C)C1(CC)OCCO1)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si/c1-10-19(20-11-12-21-19)16(3)13-15(2)14-17(4)22-23(8,9)18(5,6)7/h16-17H,2,10-14H2,1,3-9H3/t16?,17-/m1/s1
InChIKeyGUNFZEKKDHUABB-ZYMOGRSISA-N
XLogP5.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-(3-methylbut-3-en-2-yloxy)silane
CID 15935934
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid
CID 76827468
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
tert-butyl-dimethyl-(2-methylhex-1-en-3-yloxy)silane
CID 101446444
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate
CID 90371671
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol
CID 154722181
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]but-3-enal
CID 11142048
(E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid
CID 10924033
(2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol
CID 101489055
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethylpropan-1-amine
CID 156904543
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane (CID 11046144) is tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane is C=C(CC(C)C1(CC)OCCO1)C[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane?
The InChIKey is GUNFZEKKDHUABB-ZYMOGRSISA-N. The full InChI is InChI=1S/C19H38O3Si/c1-10-19(20-11-12-21-19)16(3)13-15(2)14-17(4)22-23(8,9)18(5,6)7/h16-17H,2,10-14H2,1,3-9H3/t16?,17-/m1/s1.
What are the key properties of tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane has a molecular weight of 342.60 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-6-(2-ethyl-1,3-dioxolan-2-yl)-4-methylideneheptan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11046144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).