hydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane

C13H24O3Si — CID 102278843

IUPAChydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane
SMILESCC(/C=C/[Si](C)(C)O)=C\COC1CCCCO1
InChIInChI=1S/C13H24O3Si/c1-12(8-11-17(2,3)14)7-10-16-13-6-4-5-9-15-13/h7-8,11,13-14H,4-6,9-10H2,1-3H3/b11-8+,12-7+
InChIKeyHOMZVMDREXKHGQ-NFLJZBCPSA-N
MW256.42 g/mol
LogP2.77
Rot. Bonds5

About hydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane

hydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane (PubChem CID 102278843) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is hydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane.

Molecular Properties

Compound Namehydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane
PubChem CID102278843
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Namehydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane
SMILESCC(/C=C/[Si](C)(C)O)=C\COC1CCCCO1
InChIInChI=1S/C13H24O3Si/c1-12(8-11-17(2,3)14)7-10-16-13-6-4-5-9-15-13/h7-8,11,13-14H,4-6,9-10H2,1-3H3/b11-8+,12-7+
InChIKeyHOMZVMDREXKHGQ-NFLJZBCPSA-N
XLogP2.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E,4Z)-5-butyltellanyl-3-methylpenta-2,4-dienoxy]oxane
CID 10522891
hydroxy-dimethyl-[(Z)-4-(oxan-2-yloxy)but-2-en-2-yl]silane
CID 102509921
hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane
CID 102509935
trimethyl-[(2E)-4-(oxan-2-yloxymethyl)penta-2,4-dienyl]silane
CID 134991453
2-(2-Ethenylbut-2-enoxy)oxane
CID 54469177
2-(3-Methylpenta-2,4-dienoxy)oxane
CID 54496034
tert-butyl-dimethyl-[(E)-3-methyl-4-(oxan-2-yloxy)but-2-enoxy]silane
CID 10661983
tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
CID 10928713
tert-butyl-dimethyl-[(Z)-3-methyl-4-(oxan-2-yloxy)but-2-enoxy]silane
CID 23249366
ethoxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane
CID 25191801
tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane
CID 100951994
tert-butyl-dimethyl-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]silane
CID 101054975

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane?
The IUPAC name of hydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane (CID 102278843) is hydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane.
What is the SMILES notation for hydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane?
The canonical SMILES for hydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane is CC(/C=C/[Si](C)(C)O)=C\COC1CCCCO1.
What is the InChIKey of hydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane?
The InChIKey is HOMZVMDREXKHGQ-NFLJZBCPSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-12(8-11-17(2,3)14)7-10-16-13-6-4-5-9-15-13/h7-8,11,13-14H,4-6,9-10H2,1-3H3/b11-8+,12-7+.
What are the key properties of hydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane?
hydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane has a molecular weight of 256.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane is sourced from PubChem (CID 102278843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).