hydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane

C9H16O2Si — CID 123531554

IUPAChydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane
SMILESC[SiH](O)CCC1=CC2OC2CC1
InChIInChI=1S/C9H16O2Si/c1-12(10)5-4-7-2-3-8-9(6-7)11-8/h6,8-10,12H,2-5H2,1H3
InChIKeyYRORGVTXWHHYPH-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.21
Rot. Bonds3

About hydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane

hydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane (PubChem CID 123531554) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is hydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane.

Molecular Properties

Compound Namehydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane
PubChem CID123531554
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Namehydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane
SMILESC[SiH](O)CCC1=CC2OC2CC1
InChIInChI=1S/C9H16O2Si/c1-12(10)5-4-7-2-3-8-9(6-7)11-8/h6,8-10,12H,2-5H2,1H3
InChIKeyYRORGVTXWHHYPH-UHFFFAOYSA-N
XLogP1.21
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]methoxy]silane
CID 11241934
Tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane
CID 12002929
trimethyl-[(E)-[(2S,6S)-2-[(E)-prop-1-enyl]-6-propyloxan-4-ylidene]methyl]silane
CID 135041561
Trimethoxy-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane
CID 175442520
Triethoxy-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane
CID 175474840
tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane
CID 10869162
Tert-butyl-[(6-methoxycyclohexen-1-yl)methoxy]-dimethylsilane
CID 102475887

Frequently Asked Questions

What is the IUPAC name of hydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane?
The IUPAC name of hydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane (CID 123531554) is hydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane.
What is the SMILES notation for hydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane?
The canonical SMILES for hydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane is C[SiH](O)CCC1=CC2OC2CC1.
What is the InChIKey of hydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane?
The InChIKey is YRORGVTXWHHYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-12(10)5-4-7-2-3-8-9(6-7)11-8/h6,8-10,12H,2-5H2,1H3.
What are the key properties of hydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane?
hydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane has a molecular weight of 184.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methyl-[2-(7-oxabicyclo[4.1.0]hept-2-en-3-yl)ethyl]silane is sourced from PubChem (CID 123531554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).