3,7-dimethyloct-6-enoxy-ethoxy-oxosilane

C12H24O3Si — CID 138395830

IUPAC3,7-dimethyloct-6-enoxy-ethoxy-oxosilane
SMILESCCO[Si](=O)OCCC(C)CCC=C(C)C
InChIInChI=1S/C12H24O3Si/c1-5-14-16(13)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3
InChIKeyOKLPDWNDIPVIBK-UHFFFAOYSA-N
MW244.41 g/mol
LogP3.23
Rot. Bonds9

About 3,7-dimethyloct-6-enoxy-ethoxy-oxosilane

3,7-dimethyloct-6-enoxy-ethoxy-oxosilane (PubChem CID 138395830) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 3,7-dimethyloct-6-enoxy-ethoxy-oxosilane.

Molecular Properties

Compound Name3,7-dimethyloct-6-enoxy-ethoxy-oxosilane
PubChem CID138395830
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name3,7-dimethyloct-6-enoxy-ethoxy-oxosilane
SMILESCCO[Si](=O)OCCC(C)CCC=C(C)C
InChIInChI=1S/C12H24O3Si/c1-5-14-16(13)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3
InChIKeyOKLPDWNDIPVIBK-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Citronellyl ethyl ether, (+-)-
CID 50941
2-Octene, 8-methoxy-2,6-dimethyl-
CID 91936
2-Octene, 8-butoxy-2,6-dimethyl-
CID 116735
Silane, [(3,7-dimethyl-6-octenyl)oxy]trimethyl-
CID 557338
Citronellyl ethyl ether, (R)-
CID 92168246
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
Hydrate citronellol
CID 74069754
Citronellyl ethyl ether, (S)-
CID 92168245
beta-Citronellol, TBDMS derivative
CID 11043851
bis[(3,7-Dimethyloct-6-en-1-yl)oxy](dimethyl)silane
CID 91697684
Citronellyl vinyl ether
CID 22320909
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloct-6-enoxy-ethoxy-oxosilane?
The IUPAC name of 3,7-dimethyloct-6-enoxy-ethoxy-oxosilane (CID 138395830) is 3,7-dimethyloct-6-enoxy-ethoxy-oxosilane.
What is the SMILES notation for 3,7-dimethyloct-6-enoxy-ethoxy-oxosilane?
The canonical SMILES for 3,7-dimethyloct-6-enoxy-ethoxy-oxosilane is CCO[Si](=O)OCCC(C)CCC=C(C)C.
What is the InChIKey of 3,7-dimethyloct-6-enoxy-ethoxy-oxosilane?
The InChIKey is OKLPDWNDIPVIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-5-14-16(13)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3.
What are the key properties of 3,7-dimethyloct-6-enoxy-ethoxy-oxosilane?
3,7-dimethyloct-6-enoxy-ethoxy-oxosilane has a molecular weight of 244.41 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-6-enoxy-ethoxy-oxosilane is sourced from PubChem (CID 138395830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).