tert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane

C17H36O3Si — CID 11278528

IUPACtert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane
SMILESC=CC[C@H](C)[C@H](OCOC)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-10-11-14(2)16(19-13-18-7)15(3)12-20-21(8,9)17(4,5)6/h10,14-16H,1,11-13H2,2-9H3/t14-,15-,16-/m0/s1
InChIKeyAVZMOLXXPGTHJD-JYJNAYRXSA-N
MW316.56 g/mol
LogP4.85
Rot. Bonds10

About tert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane

tert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane (PubChem CID 11278528) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is tert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane
PubChem CID11278528
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Nametert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane
SMILESC=CC[C@H](C)[C@H](OCOC)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si/c1-10-11-14(2)16(19-13-18-7)15(3)12-20-21(8,9)17(4,5)6/h10,14-16H,1,11-13H2,2-9H3/t14-,15-,16-/m0/s1
InChIKeyAVZMOLXXPGTHJD-JYJNAYRXSA-N
XLogP4.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane
CID 15981704
tert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane
CID 46218224
tert-butyl-[(4S,6S)-6-(methoxymethoxy)undec-1-en-4-yl]oxy-dimethylsilane
CID 57326345
tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane
CID 135015253
tert-butyl-[(3R,4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-yl]oxy-dimethylsilane
CID 135016313
[(E,2S,3R)-7-iodo-2-(methoxymethoxy)-3-methylhept-6-enoxy]-tri(propan-2-yl)silane
CID 90274719
tri(propan-2-yl)-[(1R)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10498503
[(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10500135
[(1S)-1-[(4R,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10619947
tri(propan-2-yl)-[(1R)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10642035
[(1R)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10643650
[(E,4R,5R)-5-(methoxymethoxy)-4-methylhept-1-enyl]-trimethylsilane
CID 10681768

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane (CID 11278528) is tert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane is C=CC[C@H](C)[C@H](OCOC)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane?
The InChIKey is AVZMOLXXPGTHJD-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-10-11-14(2)16(19-13-18-7)15(3)12-20-21(8,9)17(4,5)6/h10,14-16H,1,11-13H2,2-9H3/t14-,15-,16-/m0/s1.
What are the key properties of tert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane?
tert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane has a molecular weight of 316.56 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S,4S)-3-(methoxymethoxy)-2,4-dimethylhept-6-enoxy]-dimethylsilane is sourced from PubChem (CID 11278528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).