tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane

C15H32O3Si — CID 15981704

IUPACtert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane
SMILESC=C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C15H32O3Si/c1-9-13(2)14(17-12-16-6)10-11-18-19(7,8)15(3,4)5/h9,13-14H,1,10-12H2,2-8H3/t13-,14+/m1/s1
InChIKeyFIMHDWGMBJYRMD-KGLIPLIRSA-N
MW288.50 g/mol
LogP4.21
Rot. Bonds9

About tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane

tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane (PubChem CID 15981704) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane
PubChem CID15981704
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Nametert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane
SMILESC=C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C15H32O3Si/c1-9-13(2)14(17-12-16-6)10-11-18-19(7,8)15(3,4)5/h9,13-14H,1,10-12H2,2-8H3/t13-,14+/m1/s1
InChIKeyFIMHDWGMBJYRMD-KGLIPLIRSA-N
XLogP4.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.21
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-dimethyl-[(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-yl]oxysilane
CID 44220841
tert-butyl-[(2S,4S)-4-(methoxymethoxy)hept-6-en-2-yl]oxy-dimethylsilane
CID 46218224
tert-butyl-[(Z,2S,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane
CID 46934166
tert-butyl-[(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-enoxy]-dimethylsilane
CID 154718521
tert-butyl-[(Z,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enoxy]-dimethylsilane
CID 58346375
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
[(E,4R,5R)-5-(methoxymethoxy)-4-methylhex-1-enyl]-trimethylsilane
CID 10585581
[(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
triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane
CID 10663386

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane (CID 15981704) is tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane is C=C[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane?
The InChIKey is FIMHDWGMBJYRMD-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-9-13(2)14(17-12-16-6)10-11-18-19(7,8)15(3,4)5/h9,13-14H,1,10-12H2,2-8H3/t13-,14+/m1/s1.
What are the key properties of tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane?
tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane has a molecular weight of 288.50 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 15981704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).