trimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane

C18H36OSi2 — CID 102427449

IUPACtrimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane
SMILESCC(C)[Si](OCC/C=C/C#C[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36OSi2/c1-16(2)21(17(3)4,18(5)6)19-14-12-10-11-13-15-20(7,8)9/h10-11,16-18H,12,14H2,1-9H3/b11-10+
InChIKeyUDSXZPKAXIPQIZ-ZHACJKMWSA-N
MW324.66 g/mol
LogP6.01
Rot. Bonds7

About trimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane

trimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane (PubChem CID 102427449) has the molecular formula C18H36OSi2 and a molecular weight of 324.66 g/mol. Its IUPAC name is trimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane
PubChem CID102427449
Molecular FormulaC18H36OSi2
Molecular Weight324.66 g/mol
Exact Mass324.23
IUPAC Nametrimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane
SMILESCC(C)[Si](OCC/C=C/C#C[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H36OSi2/c1-16(2)21(17(3)4,18(5)6)19-14-12-10-11-13-15-20(7,8)9/h10-11,16-18H,12,14H2,1-9H3/b11-10+
InChIKeyUDSXZPKAXIPQIZ-ZHACJKMWSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.66
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-3-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 12010767
cis-3-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91722567
tert-Butyl(hepta-3,6-dienyloxy)dimethylsilane
CID 14214598
[(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane
CID 10882108
tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 11163885
tert-butyl-dimethyl-[(Z)-4-triethylsilylbut-3-enoxy]silane
CID 11301052
tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane
CID 11438740
tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane
CID 12073746
tert-butyl-dimethyl-[(E)-5-trimethylsilylpent-3-enoxy]silane
CID 13837970
tert-butyl-[(2R,3Z,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 101267042
tert-butyl-dimethyl-[(E)-8-trimethylsilyloct-4-en-7-ynoxy]silane
CID 101521848
[(E)-pent-3-enoxy]-tri(propan-2-yl)silane
CID 102146481

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane?
The IUPAC name of trimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane (CID 102427449) is trimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane is CC(C)[Si](OCC/C=C/C#C[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of trimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane?
The InChIKey is UDSXZPKAXIPQIZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H36OSi2/c1-16(2)21(17(3)4,18(5)6)19-14-12-10-11-13-15-20(7,8)9/h10-11,16-18H,12,14H2,1-9H3/b11-10+.
What are the key properties of trimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane?
trimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane has a molecular weight of 324.66 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-6-tri(propan-2-yl)silyloxyhex-3-en-1-ynyl]silane is sourced from PubChem (CID 102427449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).