[1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane

C15H26O3Si — CID 102082063

IUPAC[1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane
SMILESC=C=C(OCOC)C(O[Si](C)(C)C)C1=CCCCC1
InChIInChI=1S/C15H26O3Si/c1-6-14(17-12-16-2)15(18-19(3,4)5)13-10-8-7-9-11-13/h10,15H,1,7-9,11-12H2,2-5H3
InChIKeyIDLKAWDAOTVGJA-UHFFFAOYSA-N
MW282.46 g/mol
LogP4.00
Rot. Bonds7

About [1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane

[1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane (PubChem CID 102082063) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is [1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane
PubChem CID102082063
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name[1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane
SMILESC=C=C(OCOC)C(O[Si](C)(C)C)C1=CCCCC1
InChIInChI=1S/C15H26O3Si/c1-6-14(17-12-16-2)15(18-19(3,4)5)13-10-8-7-9-11-13/h10,15H,1,7-9,11-12H2,2-5H3
InChIKeyIDLKAWDAOTVGJA-UHFFFAOYSA-N
XLogP4.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 54.00
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane?
The IUPAC name of [1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane (CID 102082063) is [1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane?
The canonical SMILES for [1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane is C=C=C(OCOC)C(O[Si](C)(C)C)C1=CCCCC1.
What is the InChIKey of [1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane?
The InChIKey is IDLKAWDAOTVGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-6-14(17-12-16-2)15(18-19(3,4)5)13-10-8-7-9-11-13/h10,15H,1,7-9,11-12H2,2-5H3.
What are the key properties of [1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane?
[1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane has a molecular weight of 282.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexen-1-yl)-2-(methoxymethoxy)buta-2,3-dienoxy]-trimethylsilane is sourced from PubChem (CID 102082063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).