ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate

C17H40O7 — CID 172999009

IUPACethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate
SMILESC=CC.CCCOC(C)=O.CCOCC.COCCO.OCCO
InChIInChI=1S/C5H10O2.C4H10O.C3H8O2.C3H6.C2H6O2/c1-3-4-7-5(2)6;1-3-5-4-2;1-5-3-2-4;1-3-2;3-1-2-4/h3-4H2,1-2H3;3-4H2,1-2H3;4H,2-3H2,1H3;3H,1H2,2H3;3-4H,1-2H2
InChIKeyJSGMVPKUJDERBH-UHFFFAOYSA-N
MW356.50 g/mol
LogP1.79
Rot. Bonds7

About ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate

ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate (PubChem CID 172999009) has the molecular formula C17H40O7 and a molecular weight of 356.50 g/mol. Its IUPAC name is ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate.

Molecular Properties

Compound Nameethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate
PubChem CID172999009
Molecular FormulaC17H40O7
Molecular Weight356.50 g/mol
Exact Mass356.28
IUPAC Nameethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate
SMILESC=CC.CCCOC(C)=O.CCOCC.COCCO.OCCO
InChIInChI=1S/C5H10O2.C4H10O.C3H8O2.C3H6.C2H6O2/c1-3-4-7-5(2)6;1-3-5-4-2;1-5-3-2-4;1-3-2;3-1-2-4/h3-4H2,1-2H3;3-4H2,1-2H3;4H,2-3H2,1H3;3H,1H2,2H3;3-4H,1-2H2
InChIKeyJSGMVPKUJDERBH-UHFFFAOYSA-N
XLogP1.79
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
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;propyl acetate
CID 87069783
butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 173003684
ethoxyethane;ethyl acetate;2-methoxyethanol;propane-1,2-diol;prop-1-ene
CID 172999503
ethoxyethane;2-methoxyethanol;bis(prop-1-ene)
CID 173293108
ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene
CID 87946884
ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)
CID 173186876
ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 87195266
bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
CID 173332144
2-methoxyethanol;nonakis(prop-1-ene)
CID 173188725
2-methoxyethanol;tris(prop-1-ene)
CID 172995123
1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate
CID 90282040
butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87066406

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate?
The IUPAC name of ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate (CID 172999009) is ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate.
What is the SMILES notation for ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate?
The canonical SMILES for ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate is C=CC.CCCOC(C)=O.CCOCC.COCCO.OCCO.
What is the InChIKey of ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate?
The InChIKey is JSGMVPKUJDERBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H10O.C3H8O2.C3H6.C2H6O2/c1-3-4-7-5(2)6;1-3-5-4-2;1-5-3-2-4;1-3-2;3-1-2-4/h3-4H2,1-2H3;3-4H2,1-2H3;4H,2-3H2,1H3;3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate?
ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate has a molecular weight of 356.50 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate is sourced from PubChem (CID 172999009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).