(3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane

C14H28O3Si — CID 139909203

IUPAC(3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane
SMILESC=C(O[Si](C)(C)C)C(=COC)OCCCCCC
InChIInChI=1S/C14H28O3Si/c1-7-8-9-10-11-16-14(12-15-3)13(2)17-18(4,5)6/h12H,2,7-11H2,1,3-6H3
InChIKeyRNZOAVAIRMNHQH-UHFFFAOYSA-N
MW272.46 g/mol
LogP4.44
Rot. Bonds10

About (3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane

(3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane (PubChem CID 139909203) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane
PubChem CID139909203
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane
SMILESC=C(O[Si](C)(C)C)C(=COC)OCCCCCC
InChIInChI=1S/C14H28O3Si/c1-7-8-9-10-11-16-14(12-15-3)13(2)17-18(4,5)6/h12H,2,7-11H2,1,3-6H3
InChIKeyRNZOAVAIRMNHQH-UHFFFAOYSA-N
XLogP4.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methoxymethylidene)dec-1-en-2-yloxy-trimethylsilane
CID 139909196
1-but-1-en-2-yloxyhexane
CID 57257919
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
1-buta-1,3-dien-2-yloxydocosane
CID 166669930
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
(E)-1-decoxyprop-1-en-1-amine
CID 88696659
(E)-1-octoxyprop-1-en-1-amine
CID 140692323
1-oct-1-en-2-yloxydodecane
CID 58247133
trihydroxy(1-pentoxyethenoxy)silane
CID 175003148
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
diheptyl but-2-enedioate;ethene
CID 173308008

Frequently Asked Questions

What is the IUPAC name of (3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane?
The IUPAC name of (3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane (CID 139909203) is (3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane?
The canonical SMILES for (3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane is C=C(O[Si](C)(C)C)C(=COC)OCCCCCC.
What is the InChIKey of (3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane?
The InChIKey is RNZOAVAIRMNHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-8-9-10-11-16-14(12-15-3)13(2)17-18(4,5)6/h12H,2,7-11H2,1,3-6H3.
What are the key properties of (3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane?
(3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane has a molecular weight of 272.46 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 139909203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).