tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane

C20H36O4Si — CID 11210861

IUPACtert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane
SMILESCO[C@@H](C#C/C=C(\C)COC1CCCCO1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O4Si/c1-17(15-23-19-13-8-9-14-22-19)11-10-12-18(21-5)16-24-25(6,7)20(2,3)4/h11,18-19H,8-9,13-16H2,1-7H3/b17-11+/t18-,19?/m0/s1
InChIKeyMXOMLIQQZDXPMA-YHSZHDMLSA-N
MW368.59 g/mol
LogP4.52
Rot. Bonds7

About tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane

tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane (PubChem CID 11210861) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane
PubChem CID11210861
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Nametert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane
SMILESCO[C@@H](C#C/C=C(\C)COC1CCCCO1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O4Si/c1-17(15-23-19-13-8-9-14-22-19)11-10-12-18(21-5)16-24-25(6,7)20(2,3)4/h11,18-19H,8-9,13-16H2,1-7H3/b17-11+/t18-,19?/m0/s1
InChIKeyMXOMLIQQZDXPMA-YHSZHDMLSA-N
XLogP4.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E,2R)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane
CID 134866404
2,2-dimethyl-3-[3-(oxan-2-yloxymethyl)but-3-en-1-ynyl]-5H-oxasilole
CID 134976827
tert-butyl-[(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-yl]oxy-dimethylsilane
CID 15726381
tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
CID 15726383
tert-butyl-dimethyl-[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enoxy]silane
CID 10661983
tert-butyl-dimethyl-[(Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoxy]silane
CID 23249366
methyl (E)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(oxan-2-yloxy)hex-4-en-2-ynoate
CID 25194275

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane (CID 11210861) is tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane is CO[C@@H](C#C/C=C(\C)COC1CCCCO1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane?
The InChIKey is MXOMLIQQZDXPMA-YHSZHDMLSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-17(15-23-19-13-8-9-14-22-19)11-10-12-18(21-5)16-24-25(6,7)20(2,3)4/h11,18-19H,8-9,13-16H2,1-7H3/b17-11+/t18-,19?/m0/s1.
What are the key properties of tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane?
tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane has a molecular weight of 368.59 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S)-2-methoxy-6-methyl-7-(oxan-2-yloxy)hept-5-en-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 11210861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).