3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane

C21H42O4Si2 — CID 165033628

IUPAC3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane
SMILES[SiH3]CCCOCC1CC2CCC1O2.[SiH3]CCCOCCC1CC2CCC1O2
InChIInChI=1S/C11H22O2Si.C10H20O2Si/c14-7-1-5-12-6-4-9-8-10-2-3-11(9)13-10;13-5-1-4-11-7-8-6-9-2-3-10(8)12-9/h9-11H,1-8H2,14H3;8-10H,1-7H2,13H3
InChIKeyNAVDJJVLXDEPIH-UHFFFAOYSA-N
MW414.74 g/mol
LogP1.88
Rot. Bonds11

About 3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane

3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane (PubChem CID 165033628) has the molecular formula C21H42O4Si2 and a molecular weight of 414.74 g/mol. Its IUPAC name is 3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane.

Molecular Properties

Compound Name3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane
PubChem CID165033628
Molecular FormulaC21H42O4Si2
Molecular Weight414.74 g/mol
Exact Mass414.26
IUPAC Name3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane
SMILES[SiH3]CCCOCC1CC2CCC1O2.[SiH3]CCCOCCC1CC2CCC1O2
InChIInChI=1S/C11H22O2Si.C10H20O2Si/c14-7-1-5-12-6-4-9-8-10-2-3-11(9)13-10;13-5-1-4-11-7-8-6-9-2-3-10(8)12-9/h9-11H,1-8H2,14H3;8-10H,1-7H2,13H3
InChIKeyNAVDJJVLXDEPIH-UHFFFAOYSA-N
XLogP1.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.74
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane
CID 157490785
[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 144577021
2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylpropanoate
CID 129037323
2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane
CID 176604134
3-(oxetan-3-ylmethoxy)propylsilane
CID 123992646
2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane
CID 176604739
(1R,2R,4S)-2-(butoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 88577956
1,1,3,3-tetramethyl-2-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl]guanidine
CID 122098673
2-[[4-(4-chlorophenoxy)phenoxy]methyl]-7-oxabicyclo[2.2.1]heptane
CID 167991484
methyl 2-[(1R,2R)-7-oxabicyclo[2.2.1]heptan-2-yl]acetate
CID 130359597
7-oxabicyclo[2.2.1]heptan-2-ylmethanesulfonic acid
CID 156806173
(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 73357616

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane?
The IUPAC name of 3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane (CID 165033628) is 3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane.
What is the SMILES notation for 3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane?
The canonical SMILES for 3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane is [SiH3]CCCOCC1CC2CCC1O2.[SiH3]CCCOCCC1CC2CCC1O2.
What is the InChIKey of 3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane?
The InChIKey is NAVDJJVLXDEPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si.C10H20O2Si/c14-7-1-5-12-6-4-9-8-10-2-3-11(9)13-10;13-5-1-4-11-7-8-6-9-2-3-10(8)12-9/h9-11H,1-8H2,14H3;8-10H,1-7H2,13H3.
What are the key properties of 3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane?
3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane has a molecular weight of 414.74 g/mol, XLogP of 1.88, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane is sourced from PubChem (CID 165033628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).