ethene;ethoxyethane;propane-1,2-diol

C9H22O3 — CID 87065647

IUPACethene;ethoxyethane;propane-1,2-diol
SMILESC=C.CC(O)CO.CCOCC
InChIInChI=1S/C4H10O.C3H8O2.C2H4/c1-3-5-4-2;1-3(5)2-4;1-2/h3-4H2,1-2H3;3-5H,2H2,1H3;1-2H2
InChIKeySKLVWZGONZBUNX-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.20
Rot. Bonds3

About ethene;ethoxyethane;propane-1,2-diol

ethene;ethoxyethane;propane-1,2-diol (PubChem CID 87065647) has the molecular formula C9H22O3 and a molecular weight of 178.27 g/mol. Its IUPAC name is ethene;ethoxyethane;propane-1,2-diol.

Molecular Properties

Compound Nameethene;ethoxyethane;propane-1,2-diol
PubChem CID87065647
Molecular FormulaC9H22O3
Molecular Weight178.27 g/mol
Exact Mass178.16
IUPAC Nameethene;ethoxyethane;propane-1,2-diol
SMILESC=C.CC(O)CO.CCOCC
InChIInChI=1S/C4H10O.C3H8O2.C2H4/c1-3-5-4-2;1-3(5)2-4;1-2/h3-4H2,1-2H3;3-5H,2H2,1H3;1-2H2
InChIKeySKLVWZGONZBUNX-UHFFFAOYSA-N
XLogP1.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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'}

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Related Compounds

ethene;ethoxyethane;propane-1,2,3-triol
CID 175604440
ethanol;ethene;ethoxyethane
CID 139434375
ethoxyethane;decakis(propane-1,2,3-triol)
CID 173290324
ethane-1,2-diol;ethene;ethoxyethane
CID 173171004
ethane-1,2-diol;ethene;ethoxyethane
CID 173009607
propane-1,2-diol
CID 23506506
ethoxyethane;propane-1,2-diol;prop-2-enyl prop-2-enoate
CID 87555404
hydroxymethoxymethanol;propane-1,2-diol
CID 87307826
ethoxyethane;2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2-diol
CID 146198033
ethoxyperoxyethane;propane-1,2-diol
CID 87183178
ethoxyethane;(2S)-pentan-2-ol
CID 157362053
ethenoxyethane;propane-1,2-diol
CID 87233318

Frequently Asked Questions

What is the IUPAC name of ethene;ethoxyethane;propane-1,2-diol?
The IUPAC name of ethene;ethoxyethane;propane-1,2-diol (CID 87065647) is ethene;ethoxyethane;propane-1,2-diol.
What is the SMILES notation for ethene;ethoxyethane;propane-1,2-diol?
The canonical SMILES for ethene;ethoxyethane;propane-1,2-diol is C=C.CC(O)CO.CCOCC.
What is the InChIKey of ethene;ethoxyethane;propane-1,2-diol?
The InChIKey is SKLVWZGONZBUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H8O2.C2H4/c1-3-5-4-2;1-3(5)2-4;1-2/h3-4H2,1-2H3;3-5H,2H2,1H3;1-2H2.
What are the key properties of ethene;ethoxyethane;propane-1,2-diol?
ethene;ethoxyethane;propane-1,2-diol has a molecular weight of 178.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethoxyethane;propane-1,2-diol is sourced from PubChem (CID 87065647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).