tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane

C17H30O2Si — CID 11346938

IUPACtert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane
SMILESC=CCOC/C=C/C#CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O2Si/c1-7-14-18-15-12-10-8-9-11-13-16-19-20(5,6)17(2,3)4/h7,10,12H,1,11,13-16H2,2-6H3/b12-10+
InChIKeyFTWKEQPGAKGUMA-ZRDIBKRKSA-N
MW294.51 g/mol
LogP4.55
Rot. Bonds8

About tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane

tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane (PubChem CID 11346938) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane
PubChem CID11346938
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Nametert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane
SMILESC=CCOC/C=C/C#CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O2Si/c1-7-14-18-15-12-10-8-9-11-13-16-19-20(5,6)17(2,3)4/h7,10,12H,1,11,13-16H2,2-6H3/b12-10+
InChIKeyFTWKEQPGAKGUMA-ZRDIBKRKSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(Z)-4-methoxybut-2-enoxy]-dimethylsilane
CID 9991127
[(Z)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate
CID 11323950
tri(propan-2-yl)-[(E)-5-prop-2-enoxypent-3-en-1-ynyl]silane
CID 16063131
Tri(propan-2-yl)-(4-prop-2-enoxybut-1-ynoxy)silane
CID 85815775
5-[3-(Methoxymethyl)but-3-en-1-ynyl]-2,2-dimethyl-3,6-dihydrooxasiline
CID 101770676
Tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane
CID 134894104
[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-2-en-4-ynyl] acetate
CID 134978040
tert-butyl-[4-[(2E,4E)-hexa-2,4-dienoxy]but-2-ynoxy]-dimethylsilane
CID 135047954
[(1E)-buta-1,3-dienyl]-di(propan-2-yl)-[(E)-4-prop-2-ynoxybut-2-enoxy]silane
CID 135079519
trimethyl-[3-[(Z)-4-prop-2-enoxybut-2-enoxy]prop-1-ynyl]silane
CID 154722307
[(2Z)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-2,6-dien-4-ynyl] acetate
CID 176431257
[(Z)-5-methoxy-3-(methoxymethyl)pent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 102322012

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane (CID 11346938) is tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane is C=CCOC/C=C/C#CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane?
The InChIKey is FTWKEQPGAKGUMA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-7-14-18-15-12-10-8-9-11-13-16-19-20(5,6)17(2,3)4/h7,10,12H,1,11,13-16H2,2-6H3/b12-10+.
What are the key properties of tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane?
tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane has a molecular weight of 294.51 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane is sourced from PubChem (CID 11346938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).