[(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane

C21H34OSi — CID 10882108

IUPAC[(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane
SMILESC#C/C=C/C=C/C=C/C=C/CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H34OSi/c1-8-9-10-11-12-13-14-15-16-17-18-22-23(19(2)3,20(4)5)21(6)7/h1,9-16,19-21H,17-18H2,2-7H3/b10-9+,12-11+,14-13+,16-15+
InChIKeyRHBPULHHPXQPFF-IQXCVQKKSA-N
MW330.59 g/mol
LogP6.43
Rot. Bonds10

About [(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane

[(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane (PubChem CID 10882108) has the molecular formula C21H34OSi and a molecular weight of 330.59 g/mol. Its IUPAC name is [(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane
PubChem CID10882108
Molecular FormulaC21H34OSi
Molecular Weight330.59 g/mol
Exact Mass330.24
IUPAC Name[(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane
SMILESC#C/C=C/C=C/C=C/C=C/CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H34OSi/c1-8-9-10-11-12-13-14-15-16-17-18-22-23(19(2)3,20(4)5)21(6)7/h1,9-16,19-21H,17-18H2,2-7H3/b10-9+,12-11+,14-13+,16-15+
InChIKeyRHBPULHHPXQPFF-IQXCVQKKSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 56.43
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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane (CID 10882108) is [(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane is C#C/C=C/C=C/C=C/C=C/CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane?
The InChIKey is RHBPULHHPXQPFF-IQXCVQKKSA-N. The full InChI is InChI=1S/C21H34OSi/c1-8-9-10-11-12-13-14-15-16-17-18-22-23(19(2)3,20(4)5)21(6)7/h1,9-16,19-21H,17-18H2,2-7H3/b10-9+,12-11+,14-13+,16-15+.
What are the key properties of [(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane?
[(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane has a molecular weight of 330.59 g/mol, XLogP of 6.43, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 10882108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).