3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane

C12H24O3Si — CID 140870670

IUPAC3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane
SMILESC/C=C/C=C/COCCC[Si](C)(OC)OC
InChIInChI=1S/C12H24O3Si/c1-5-6-7-8-10-15-11-9-12-16(4,13-2)14-3/h5-8H,9-12H2,1-4H3/b6-5+,8-7+
InChIKeyPKYZVKPTAVJOAP-BSWSSELBSA-N
MW244.41 g/mol
LogP2.89
Rot. Bonds9

About 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane

3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane (PubChem CID 140870670) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane.

Molecular Properties

Compound Name3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane
PubChem CID140870670
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane
SMILESC/C=C/C=C/COCCC[Si](C)(OC)OC
InChIInChI=1S/C12H24O3Si/c1-5-6-7-8-10-15-11-9-12-16(4,13-2)14-3/h5-8H,9-12H2,1-4H3/b6-5+,8-7+
InChIKeyPKYZVKPTAVJOAP-BSWSSELBSA-N
XLogP2.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

tert-butyl-[(Z)-4-methoxybut-2-enoxy]-dimethylsilane
CID 9991127
ethenyl-[(2E,4E)-hexa-2,4-dienoxy]-dimethylsilane
CID 10910196
[(1E,3E)-5-(2-methoxypropan-2-yloxy)penta-1,3-dienyl]-trimethylsilane
CID 11229932
tert-butyl-[(2E,4E)-5-methoxypenta-2,4-dienoxy]-dimethylsilane
CID 101028091
Tri(propan-2-yl)-(3-prop-2-enoxypropoxy)silane
CID 101985346
triethoxy-[(Z)-4-methoxybut-2-enyl]silane
CID 102048831
Tri(propan-2-yl)-(3-prop-2-enoxyprop-1-ynoxy)silane
CID 134894104
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
Diethoxy-methyl-(3-prop-2-enoxypropyl)silane
CID 14848119
1-[(E)-but-2-enoxy]propyl-trimethoxysilane
CID 18672775

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane?
The IUPAC name of 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane (CID 140870670) is 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane.
What is the SMILES notation for 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane?
The canonical SMILES for 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane is C/C=C/C=C/COCCC[Si](C)(OC)OC.
What is the InChIKey of 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane?
The InChIKey is PKYZVKPTAVJOAP-BSWSSELBSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-5-6-7-8-10-15-11-9-12-16(4,13-2)14-3/h5-8H,9-12H2,1-4H3/b6-5+,8-7+.
What are the key properties of 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane?
3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane has a molecular weight of 244.41 g/mol, XLogP of 2.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4E)-hexa-2,4-dienoxy]propyl-dimethoxy-methylsilane is sourced from PubChem (CID 140870670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).