tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol

C26H50O6Si — CID 158715733

IUPACtert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol
SMILESC[C@@H](/C=C\CO)OC1CCCCO1.C[C@@H](/C=C\CO[Si](C)(C)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C16H32O3Si.C10H18O3/c1-14(19-15-11-7-8-12-17-15)10-9-13-18-20(5,6)16(2,3)4;1-9(5-4-7-11)13-10-6-2-3-8-12-10/h9-10,14-15H,7-8,11-13H2,1-6H3;4-5,9-11H,2-3,6-8H2,1H3/b10-9-;5-4-/t14-,15?;9-,10?/m00/s1
InChIKeyIJHAKKHJHNAZSY-HTGWXGSWSA-N
MW486.77 g/mol
LogP5.96
Rot. Bonds10

About tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol

tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol (PubChem CID 158715733) has the molecular formula C26H50O6Si and a molecular weight of 486.77 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol
PubChem CID158715733
Molecular FormulaC26H50O6Si
Molecular Weight486.77 g/mol
Exact Mass486.34
IUPAC Nametert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol
SMILESC[C@@H](/C=C\CO)OC1CCCCO1.C[C@@H](/C=C\CO[Si](C)(C)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C16H32O3Si.C10H18O3/c1-14(19-15-11-7-8-12-17-15)10-9-13-18-20(5,6)16(2,3)4;1-9(5-4-7-11)13-10-6-2-3-8-12-10/h9-10,14-15H,7-8,11-13H2,1-6H3;4-5,9-11H,2-3,6-8H2,1H3/b10-9-;5-4-/t14-,15?;9-,10?/m00/s1
InChIKeyIJHAKKHJHNAZSY-HTGWXGSWSA-N
XLogP5.96
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.77
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol?
The IUPAC name of tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol (CID 158715733) is tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol?
The canonical SMILES for tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol is C[C@@H](/C=C\CO)OC1CCCCO1.C[C@@H](/C=C\CO[Si](C)(C)C(C)(C)C)OC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol?
The InChIKey is IJHAKKHJHNAZSY-HTGWXGSWSA-N. The full InChI is InChI=1S/C16H32O3Si.C10H18O3/c1-14(19-15-11-7-8-12-17-15)10-9-13-18-20(5,6)16(2,3)4;1-9(5-4-7-11)13-10-6-2-3-8-12-10/h9-10,14-15H,7-8,11-13H2,1-6H3;4-5,9-11H,2-3,6-8H2,1H3/b10-9-;5-4-/t14-,15?;9-,10?/m00/s1.
What are the key properties of tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol?
tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol has a molecular weight of 486.77 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol is sourced from PubChem (CID 158715733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).