ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene

C17H40O7 — CID 172999503

IUPACethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene
SMILESC=CC.CC(O)CO.CCOC(C)=O.CCOCC.COCCO
InChIInChI=1S/C4H8O2.C4H10O.2C3H8O2.C3H6/c1-3-6-4(2)5;1-3-5-4-2;1-5-3-2-4;1-3(5)2-4;1-3-2/h3H2,1-2H3;3-4H2,1-2H3;4H,2-3H2,1H3;3-5H,2H2,1H3;3H,1H2,2H3
InChIKeyMXPVYWLWCGEFLZ-UHFFFAOYSA-N
MW356.50 g/mol
LogP1.79
Rot. Bonds6

About ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene

ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene (PubChem CID 172999503) has the molecular formula C17H40O7 and a molecular weight of 356.50 g/mol. Its IUPAC name is ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene.

Molecular Properties

Compound Nameethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene
PubChem CID172999503
Molecular FormulaC17H40O7
Molecular Weight356.50 g/mol
Exact Mass356.28
IUPAC Nameethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene
SMILESC=CC.CC(O)CO.CCOC(C)=O.CCOCC.COCCO
InChIInChI=1S/C4H8O2.C4H10O.2C3H8O2.C3H6/c1-3-6-4(2)5;1-3-5-4-2;1-5-3-2-4;1-3(5)2-4;1-3-2/h3H2,1-2H3;3-4H2,1-2H3;4H,2-3H2,1H3;3-5H,2H2,1H3;3H,1H2,2H3
InChIKeyMXPVYWLWCGEFLZ-UHFFFAOYSA-N
XLogP1.79
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate
CID 172999009
ethoxyethane;2-methoxyethanol;bis(prop-1-ene)
CID 173293108
ethyl acetate;methoxymethane;propane-1,2-diol
CID 175107858
2-methoxyethanol;propan-2-ol;prop-1-ene
CID 87495214
2-hydroxyethyl acetate;propane-1,2-diol
CID 158780453
2-ethoxyethanol;ethyl acetate
CID 22463789
1,2-dimethoxyethane;ethyl acetate
CID 87198031
butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 173003684
ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene
CID 87946884
2-methoxyethanol;nonakis(prop-1-ene)
CID 173188725
ethoxyethane;ethyl acetate
CID 87087849
2-methoxyethanol;tris(prop-1-ene)
CID 172995123

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene?
The IUPAC name of ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene (CID 172999503) is ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene.
What is the SMILES notation for ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene?
The canonical SMILES for ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene is C=CC.CC(O)CO.CCOC(C)=O.CCOCC.COCCO.
What is the InChIKey of ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene?
The InChIKey is MXPVYWLWCGEFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C4H10O.2C3H8O2.C3H6/c1-3-6-4(2)5;1-3-5-4-2;1-5-3-2-4;1-3(5)2-4;1-3-2/h3H2,1-2H3;3-4H2,1-2H3;4H,2-3H2,1H3;3-5H,2H2,1H3;3H,1H2,2H3.
What are the key properties of ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene?
ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene has a molecular weight of 356.50 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene is sourced from PubChem (CID 172999503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).