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

C15H26O3 — CID 57006238

IUPAC1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane
SMILESCC=COCC(CC)(COC=CC)COC=CC
InChIInChI=1S/C15H26O3/c1-5-9-16-12-15(8-4,13-17-10-6-2)14-18-11-7-3/h5-7,9-11H,8,12-14H2,1-4H3
InChIKeyLQYSBSJOLPSPRC-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.03
Rot. Bonds10

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

1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane (PubChem CID 57006238) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane.

Molecular Properties

Compound Name1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane
PubChem CID57006238
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane
SMILESCC=COCC(CC)(COC=CC)COC=CC
InChIInChI=1S/C15H26O3/c1-5-9-16-12-15(8-4,13-17-10-6-2)14-18-11-7-3/h5-7,9-11H,8,12-14H2,1-4H3
InChIKeyLQYSBSJOLPSPRC-UHFFFAOYSA-N
XLogP4.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane?
The IUPAC name of 1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane (CID 57006238) is 1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane.
What is the SMILES notation for 1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane?
The canonical SMILES for 1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane is CC=COCC(CC)(COC=CC)COC=CC.
What is the InChIKey of 1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane?
The InChIKey is LQYSBSJOLPSPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-5-9-16-12-15(8-4,13-17-10-6-2)14-18-11-7-3/h5-7,9-11H,8,12-14H2,1-4H3.
What are the key properties of 1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane?
1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane has a molecular weight of 254.37 g/mol, XLogP of 4.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane is sourced from PubChem (CID 57006238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).