hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane

C8H14O3Si — CID 4166920

IUPAChydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane
SMILESO=[Si](O)CCC1CCC2OC2C1
InChIInChI=1S/C8H14O3Si/c9-12(10)4-3-6-1-2-7-8(5-6)11-7/h6-9H,1-5H2
InChIKeyIHZWBVVFUGBBFK-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.86
Rot. Bonds3

About hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane

hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane (PubChem CID 4166920) has the molecular formula C8H14O3Si and a molecular weight of 186.28 g/mol. Its IUPAC name is hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane.

Molecular Properties

Compound Namehydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane
PubChem CID4166920
Molecular FormulaC8H14O3Si
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Namehydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane
SMILESO=[Si](O)CCC1CCC2OC2C1
InChIInChI=1S/C8H14O3Si/c9-12(10)4-3-6-1-2-7-8(5-6)11-7/h6-9H,1-5H2
InChIKeyIHZWBVVFUGBBFK-UHFFFAOYSA-N
XLogP0.86
TPSA49.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

CID 22630444
CID 22630444
hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 140784911
bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl] hexanedioate
CID 142748785
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propanoate
CID 59936733
cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol
CID 21219626
2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite
CID 163589828
CID 45052171
CID 45052171
1-(7-oxabicyclo[4.1.0]heptan-3-yl)pent-4-ene-2,3-dione
CID 129155339
2-(7-oxabicyclo[4.1.0]heptan-3-ylmethylamino)prop-2-enoic acid
CID 87626588
triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774414
1,2-bis(7-oxabicyclo[4.1.0]heptan-3-yl)ethanone
CID 54560266

Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane?
The IUPAC name of hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane (CID 4166920) is hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane.
What is the SMILES notation for hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane?
The canonical SMILES for hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane is O=[Si](O)CCC1CCC2OC2C1.
What is the InChIKey of hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane?
The InChIKey is IHZWBVVFUGBBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3Si/c9-12(10)4-3-6-1-2-7-8(5-6)11-7/h6-9H,1-5H2.
What are the key properties of hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane?
hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane has a molecular weight of 186.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane is sourced from PubChem (CID 4166920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).