butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene

C15H34O5 — CID 173003684

IUPACbutyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene
SMILESC=CC.CCCCOC(C)=O.CCOCC.OCCO
InChIInChI=1S/C6H12O2.C4H10O.C3H6.C2H6O2/c1-3-4-5-8-6(2)7;1-3-5-4-2;1-3-2;3-1-2-4/h3-5H2,1-2H3;3-4H2,1-2H3;3H,1H2,2H3;3-4H,1-2H2
InChIKeyQKAKJJVISSOOTF-UHFFFAOYSA-N
MW294.43 g/mol
LogP2.56
Rot. Bonds6

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

butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene (PubChem CID 173003684) has the molecular formula C15H34O5 and a molecular weight of 294.43 g/mol. Its IUPAC name is butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene.

Molecular Properties

Compound Namebutyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene
PubChem CID173003684
Molecular FormulaC15H34O5
Molecular Weight294.43 g/mol
Exact Mass294.24
IUPAC Namebutyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene
SMILESC=CC.CCCCOC(C)=O.CCOCC.OCCO
InChIInChI=1S/C6H12O2.C4H10O.C3H6.C2H6O2/c1-3-4-5-8-6(2)7;1-3-5-4-2;1-3-2;3-1-2-4/h3-5H2,1-2H3;3-4H2,1-2H3;3H,1H2,2H3;3-4H,1-2H2
InChIKeyQKAKJJVISSOOTF-UHFFFAOYSA-N
XLogP2.56
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87066406
dodecyl acetate;ethane-1,2-diol;ethanol;ethoxyethane
CID 173341156
ethane-1,2-diol;ethoxyethane;2-methoxyethanol;prop-1-ene;propyl acetate
CID 172999009
butyl acetate;2-ethoxyethanol
CID 87069038
1-butoxybutane;butyl acetate;ethane-1,2-diol;ethene
CID 173134193
ethane-1,2-diol;ethoxyethane;propyl acetate
CID 87069783
butane-1,4-diol;butyl acetate
CID 87703873
CID 87429945
CID 87429945
CID 159701402
CID 159701402
CID 159328585
CID 159328585
ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 87195266
bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
CID 173332144

Frequently Asked Questions

What is the IUPAC name of butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene?
The IUPAC name of butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene (CID 173003684) is butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene.
What is the SMILES notation for butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene?
The canonical SMILES for butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene is C=CC.CCCCOC(C)=O.CCOCC.OCCO.
What is the InChIKey of butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene?
The InChIKey is QKAKJJVISSOOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H10O.C3H6.C2H6O2/c1-3-4-5-8-6(2)7;1-3-5-4-2;1-3-2;3-1-2-4/h3-5H2,1-2H3;3-4H2,1-2H3;3H,1H2,2H3;3-4H,1-2H2.
What are the key properties of butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene?
butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene has a molecular weight of 294.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl acetate;ethane-1,2-diol;ethoxyethane;prop-1-ene is sourced from PubChem (CID 173003684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).