(2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane

C12H25ClO3Si2 — CID 134859488

IUPAC(2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane
SMILESC=C(O[Si](C)(C)C)C(Cl)=C(OCC)O[Si](C)(C)C
InChIInChI=1S/C12H25ClO3Si2/c1-9-14-12(16-18(6,7)8)11(13)10(2)15-17(3,4)5/h2,9H2,1,3-8H3
InChIKeyXDQMERBEVSVOOO-UHFFFAOYSA-N
MW308.95 g/mol
LogP4.65
Rot. Bonds7

About (2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane

(2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane (PubChem CID 134859488) has the molecular formula C12H25ClO3Si2 and a molecular weight of 308.95 g/mol. Its IUPAC name is (2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane.

Molecular Properties

Compound Name(2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane
PubChem CID134859488
Molecular FormulaC12H25ClO3Si2
Molecular Weight308.95 g/mol
Exact Mass308.10
IUPAC Name(2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane
SMILESC=C(O[Si](C)(C)C)C(Cl)=C(OCC)O[Si](C)(C)C
InChIInChI=1S/C12H25ClO3Si2/c1-9-14-12(16-18(6,7)8)11(13)10(2)15-17(3,4)5/h2,9H2,1,3-8H3
InChIKeyXDQMERBEVSVOOO-UHFFFAOYSA-N
XLogP4.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.95
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1Z)-1-ethoxy-2-fluoro-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 102519993
[(Z)-2-chloro-1-ethoxyprop-1-enoxy]-trimethylsilane
CID 15683517
[(E)-1-ethoxy-1-trimethylsilyloxyprop-1-en-2-yl]-trimethylsilane
CID 11776696
[(E)-2-bromo-1-ethoxy-2-fluoroethenoxy]-trimethylsilane
CID 10858120
2-chloro-3-ethoxybuta-1,3-diene
CID 102247502
1-chloroethenoxy(trimethyl)silane
CID 175502754
(2-chloro-1-ethoxyethenoxy)-trimethylsilane
CID 54233716
ethyl 4-trimethylsilyloxypent-4-enoate
CID 13353135
(3-hexoxy-4-methoxybuta-1,3-dien-2-yl)oxy-trimethylsilane
CID 139909203
(1-ethoxy-2-trimethylsilylethenoxy)-trimethylsilane
CID 44629979
2-ethoxyprop-2-enyl(trimethyl)silane
CID 13185405
[(1Z,3Z)-4-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
CID 44607061

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane?
The IUPAC name of (2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane (CID 134859488) is (2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane.
What is the SMILES notation for (2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane?
The canonical SMILES for (2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane is C=C(O[Si](C)(C)C)C(Cl)=C(OCC)O[Si](C)(C)C.
What is the InChIKey of (2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane?
The InChIKey is XDQMERBEVSVOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClO3Si2/c1-9-14-12(16-18(6,7)8)11(13)10(2)15-17(3,4)5/h2,9H2,1,3-8H3.
What are the key properties of (2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane?
(2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane has a molecular weight of 308.95 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1-ethoxy-3-trimethylsilyloxybuta-1,3-dienoxy)-trimethylsilane is sourced from PubChem (CID 134859488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).