CID 22630444

C9H17O2Si — CID 22630444

IUPAC—
SMILESC[Si](O)CCC1CCC2OC2C1
InChIInChI=1S/C9H17O2Si/c1-12(10)5-4-7-2-3-8-9(6-7)11-8/h7-10H,2-6H2,1H3
InChIKeyPURSPEWNIPUMOS-UHFFFAOYSA-N
MW185.32 g/mol
LogP1.56
Rot. Bonds3

About CID 22630444

CID 22630444 (PubChem CID 22630444) has the molecular formula C9H17O2Si and a molecular weight of 185.32 g/mol.

Molecular Properties

Compound NameCID 22630444
PubChem CID22630444
Molecular FormulaC9H17O2Si
Molecular Weight185.32 g/mol
Exact Mass185.10
IUPAC Name—
SMILESC[Si](O)CCC1CCC2OC2C1
InChIInChI=1S/C9H17O2Si/c1-12(10)5-4-7-2-3-8-9(6-7)11-8/h7-10H,2-6H2,1H3
InChIKeyPURSPEWNIPUMOS-UHFFFAOYSA-N
XLogP1.56
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 51.56
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

hydroxy-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]-oxosilane
CID 4166920
hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 140784911
triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-7-oxabicyclo[4.1.0]heptane
CID 143374563
[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
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774411
cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol
CID 21219626
3-(3-methylpentyl)-7-oxabicyclo[4.1.0]heptane
CID 129014317
3-(3,3,3-trimethoxypropyl)-7-oxabicyclo[4.1.0]heptane
CID 146705904
2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl thiohypoiodite
CID 163589828
3-(ethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 23517822
[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-[2-[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dihydroxysilyl]ethyl]-dihydroxysilane
CID 140841095

Frequently Asked Questions

What is the IUPAC name of CID 22630444?
The IUPAC name of CID 22630444 (CID 22630444) is not available.
What is the SMILES notation for CID 22630444?
The canonical SMILES for CID 22630444 is C[Si](O)CCC1CCC2OC2C1.
What is the InChIKey of CID 22630444?
The InChIKey is PURSPEWNIPUMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2Si/c1-12(10)5-4-7-2-3-8-9(6-7)11-8/h7-10H,2-6H2,1H3.
What are the key properties of CID 22630444?
CID 22630444 has a molecular weight of 185.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22630444 is sourced from PubChem (CID 22630444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).