oxan-2-ylsilylformic acid

C6H12O3Si — CID 123628710

IUPACoxan-2-ylsilylformic acid
SMILESO=C(O)[SiH2]C1CCCCO1
InChIInChI=1S/C6H12O3Si/c7-6(8)10-5-3-1-2-4-9-5/h5H,1-4,10H2,(H,7,8)
InChIKeyRXLBVMLOBZKSNT-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.36
Rot. Bonds2

About oxan-2-ylsilylformic acid

oxan-2-ylsilylformic acid (PubChem CID 123628710) has the molecular formula C6H12O3Si and a molecular weight of 160.24 g/mol. Its IUPAC name is oxan-2-ylsilylformic acid.

Molecular Properties

Compound Nameoxan-2-ylsilylformic acid
PubChem CID123628710
Molecular FormulaC6H12O3Si
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Nameoxan-2-ylsilylformic acid
SMILESO=C(O)[SiH2]C1CCCCO1
InChIInChI=1S/C6H12O3Si/c7-6(8)10-5-3-1-2-4-9-5/h5H,1-4,10H2,(H,7,8)
InChIKeyRXLBVMLOBZKSNT-UHFFFAOYSA-N
XLogP0.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;methyl(oxan-2-yl)silane
CID 174962664
2-fluoro-2-(oxan-2-yl)acetic acid
CID 105431817
oxan-2-yl(phenyl)silane
CID 123640757
(2S)-2-amino-3-[(2S)-oxan-2-yl]sulfanylpropanoic acid
CID 816683
(2R)-2-amino-3-(oxan-2-ylsulfanyl)propanoic acid
CID 131631691
cyclopropylmethyl(oxan-2-yl)silane
CID 123294411
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
benzene;oxane-2-carboxamide
CID 159532576
CID 168919655
CID 168919655
2-(oxan-2-ylsilyl)ethyl 2-sulfanylacetate
CID 173483105
2,8-dioxabicyclo[5.2.1]decane
CID 91124831
3-hydroxy-2-methyl-3-(oxan-2-yl)propanoic acid
CID 67731056

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylsilylformic acid?
The IUPAC name of oxan-2-ylsilylformic acid (CID 123628710) is oxan-2-ylsilylformic acid.
What is the SMILES notation for oxan-2-ylsilylformic acid?
The canonical SMILES for oxan-2-ylsilylformic acid is O=C(O)[SiH2]C1CCCCO1.
What is the InChIKey of oxan-2-ylsilylformic acid?
The InChIKey is RXLBVMLOBZKSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3Si/c7-6(8)10-5-3-1-2-4-9-5/h5H,1-4,10H2,(H,7,8).
What are the key properties of oxan-2-ylsilylformic acid?
oxan-2-ylsilylformic acid has a molecular weight of 160.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylsilylformic acid is sourced from PubChem (CID 123628710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).