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

C10H20O2Si — CID 157490785

IUPAC3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane
SMILES[SiH3]CCCOCC1CC2CCC1O2
InChIInChI=1S/C10H20O2Si/c13-5-1-4-11-7-8-6-9-2-3-10(8)12-9/h8-10H,1-7H2,13H3
InChIKeyXIYHVBQCZOARCR-UHFFFAOYSA-N
MW200.35 g/mol
LogP0.74
Rot. Bonds5

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

3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane (PubChem CID 157490785) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane.

Molecular Properties

Compound Name3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane
PubChem CID157490785
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane
SMILES[SiH3]CCCOCC1CC2CCC1O2
InChIInChI=1S/C10H20O2Si/c13-5-1-4-11-7-8-6-9-2-3-10(8)12-9/h8-10H,1-7H2,13H3
InChIKeyXIYHVBQCZOARCR-UHFFFAOYSA-N
XLogP0.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethoxy]propylsilane;3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane
CID 165033628
[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 144577021
3-(oxetan-3-ylmethoxy)propylsilane
CID 123992646
2-[[chloro(cyclohexyl)methoxy]methyl]-7-oxabicyclo[2.2.1]heptane
CID 176604739
2-[[4-(4-chlorophenoxy)phenoxy]methyl]-7-oxabicyclo[2.2.1]heptane
CID 167991484
2-[3-(cyclopentylidenemethoxy)propyl]-7-oxabicyclo[2.2.1]heptane
CID 176604134
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
2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylpropanoate
CID 129037323
(1R,2R,4S)-2-(butoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 88577956
(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 73357616
3-[4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)butoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 21422024

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane?
The IUPAC name of 3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane (CID 157490785) is 3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane.
What is the SMILES notation for 3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane?
The canonical SMILES for 3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane is [SiH3]CCCOCC1CC2CCC1O2.
What is the InChIKey of 3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane?
The InChIKey is XIYHVBQCZOARCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c13-5-1-4-11-7-8-6-9-2-3-10(8)12-9/h8-10H,1-7H2,13H3.
What are the key properties of 3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane?
3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane has a molecular weight of 200.35 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxabicyclo[2.2.1]heptan-2-ylmethoxy)propylsilane is sourced from PubChem (CID 157490785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).