1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane

C12H18OSi — CID 175835039

IUPAC1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane
SMILESCC[SiH]1C=CC=C1C12CCCCC1O2
InChIInChI=1S/C12H18OSi/c1-2-14-9-5-7-11(14)12-8-4-3-6-10(12)13-12/h5,7,9-10,14H,2-4,6,8H2,1H3
InChIKeyCVIWAXWWTAJICM-UHFFFAOYSA-N
MW206.36 g/mol
LogP2.52
Rot. Bonds2

About 1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane

1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 175835039) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is 1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane
PubChem CID175835039
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane
SMILESCC[SiH]1C=CC=C1C12CCCCC1O2
InChIInChI=1S/C12H18OSi/c1-2-14-9-5-7-11(14)12-8-4-3-6-10(12)13-12/h5,7,9-10,14H,2-4,6,8H2,1H3
InChIKeyCVIWAXWWTAJICM-UHFFFAOYSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane (CID 175835039) is 1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane is CC[SiH]1C=CC=C1C12CCCCC1O2.
What is the InChIKey of 1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is CVIWAXWWTAJICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi/c1-2-14-9-5-7-11(14)12-8-4-3-6-10(12)13-12/h5,7,9-10,14H,2-4,6,8H2,1H3.
What are the key properties of 1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane?
1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 206.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-1H-silol-2-yl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 175835039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).