ethanol;methane;oxiran-2-ylmethanol;prop-1-ene

C9H22O3 — CID 160753688

IUPACethanol;methane;oxiran-2-ylmethanol;prop-1-ene
SMILESC.C=CC.CCO.OCC1CO1
InChIInChI=1S/C3H6O2.C3H6.C2H6O.CH4/c4-1-3-2-5-3;1-3-2;1-2-3;/h3-4H,1-2H2;3H,1H2,2H3;3H,2H2,1H3;1H4
InChIKeyRXDOFWUEHUHBNP-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.20
Rot. Bonds1

About ethanol;methane;oxiran-2-ylmethanol;prop-1-ene

ethanol;methane;oxiran-2-ylmethanol;prop-1-ene (PubChem CID 160753688) has the molecular formula C9H22O3 and a molecular weight of 178.27 g/mol. Its IUPAC name is ethanol;methane;oxiran-2-ylmethanol;prop-1-ene.

Molecular Properties

Compound Nameethanol;methane;oxiran-2-ylmethanol;prop-1-ene
PubChem CID160753688
Molecular FormulaC9H22O3
Molecular Weight178.27 g/mol
Exact Mass178.16
IUPAC Nameethanol;methane;oxiran-2-ylmethanol;prop-1-ene
SMILESC.C=CC.CCO.OCC1CO1
InChIInChI=1S/C3H6O2.C3H6.C2H6O.CH4/c4-1-3-2-5-3;1-3-2;1-2-3;/h3-4H,1-2H2;3H,1H2,2H3;3H,2H2,1H3;1H4
InChIKeyRXDOFWUEHUHBNP-UHFFFAOYSA-N
XLogP1.20
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxiran-2-ylmethanol;propane
CID 91466926
molecular iodine;oxiran-2-ylmethanol
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oxiran-2-ylmethanol;propylsilane
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ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
CID 173030236
2-methylpropan-1-ol;oxiran-2-ylmethanol
CID 174774669
[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol
CID 153300794
ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol
CID 158864373
cyanic acid;oxiran-2-ylmethanol
CID 175278425
oxiran-2-ylmethanol;phosphoric acid
CID 87891587
but-3-en-2-one;2-ethyloxirane;methane
CID 159927441
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
ethanol;oxiran-2-ylmethyl prop-2-enoate
CID 87285027

Frequently Asked Questions

What is the IUPAC name of ethanol;methane;oxiran-2-ylmethanol;prop-1-ene?
The IUPAC name of ethanol;methane;oxiran-2-ylmethanol;prop-1-ene (CID 160753688) is ethanol;methane;oxiran-2-ylmethanol;prop-1-ene.
What is the SMILES notation for ethanol;methane;oxiran-2-ylmethanol;prop-1-ene?
The canonical SMILES for ethanol;methane;oxiran-2-ylmethanol;prop-1-ene is C.C=CC.CCO.OCC1CO1.
What is the InChIKey of ethanol;methane;oxiran-2-ylmethanol;prop-1-ene?
The InChIKey is RXDOFWUEHUHBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C3H6.C2H6O.CH4/c4-1-3-2-5-3;1-3-2;1-2-3;/h3-4H,1-2H2;3H,1H2,2H3;3H,2H2,1H3;1H4.
What are the key properties of ethanol;methane;oxiran-2-ylmethanol;prop-1-ene?
ethanol;methane;oxiran-2-ylmethanol;prop-1-ene has a molecular weight of 178.27 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methane;oxiran-2-ylmethanol;prop-1-ene is sourced from PubChem (CID 160753688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).