1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane

C18H32O3 — CID 57098088

IUPAC1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane
SMILESCC=CCOCC(CC)(COCC=CC)COCC=CC
InChIInChI=1S/C18H32O3/c1-5-9-12-19-15-18(8-4,16-20-13-10-6-2)17-21-14-11-7-3/h5-7,9-11H,8,12-17H2,1-4H3
InChIKeyIQDQZQHTDIFHDS-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.16
Rot. Bonds13

About 1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane

1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane (PubChem CID 57098088) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane.

Molecular Properties

Compound Name1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane
PubChem CID57098088
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane
SMILESCC=CCOCC(CC)(COCC=CC)COCC=CC
InChIInChI=1S/C18H32O3/c1-5-9-12-19-15-18(8-4,16-20-13-10-6-2)17-21-14-11-7-3/h5-7,9-11H,8,12-17H2,1-4H3
InChIKeyIQDQZQHTDIFHDS-UHFFFAOYSA-N
XLogP4.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane?
The IUPAC name of 1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane (CID 57098088) is 1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane.
What is the SMILES notation for 1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane?
The canonical SMILES for 1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane is CC=CCOCC(CC)(COCC=CC)COCC=CC.
What is the InChIKey of 1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane?
The InChIKey is IQDQZQHTDIFHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-5-9-12-19-15-18(8-4,16-20-13-10-6-2)17-21-14-11-7-3/h5-7,9-11H,8,12-17H2,1-4H3.
What are the key properties of 1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane?
1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane has a molecular weight of 296.45 g/mol, XLogP of 4.16, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enoxy-2,2-bis(but-2-enoxymethyl)butane is sourced from PubChem (CID 57098088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).