1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane

C15H26O3 — CID 15357021

IUPAC1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane
SMILESC/C=C/OCC(CC)(CO/C=C/C)CO/C=C/C
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/b9-5+,10-6+,11-7+
InChIKeyLQYSBSJOLPSPRC-NYHHSSDGSA-N
MW254.37 g/mol
LogP4.03
Rot. Bonds10

About 1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane

1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane (PubChem CID 15357021) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane.

Molecular Properties

Compound Name1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane
PubChem CID15357021
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane
SMILESC/C=C/OCC(CC)(CO/C=C/C)CO/C=C/C
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/b9-5+,10-6+,11-7+
InChIKeyLQYSBSJOLPSPRC-NYHHSSDGSA-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'}

Analyze 1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dipropenoxy-2,2-dimethylpropane
CID 57247861
1-Ethenoxy-2,2-bis(ethenoxymethyl)butane
CID 21867830
5-Methoxy-4-(methoxymethyl)-4-methylpent-1-ene
CID 10855749
1-Ethenoxy-2,2-bis(methoxymethyl)butane
CID 20396579
2-methyl-1,3-bis[(E)-prop-1-enoxy]-2-[[(E)-prop-1-enoxy]methyl]propane
CID 23556500
1-Prop-1-enoxy-2,2-bis(prop-1-enoxymethyl)butane
CID 57006238
1,3-Bis(prop-1-enoxy)-2,2-bis(prop-1-enoxymethyl)propane
CID 57159142
2,2-Bis{[(prop-1-en-1-yl)oxy]methyl}butan-1-ol
CID 57183138
2-Methyl-1,3-bis(prop-1-enoxy)-2-(prop-1-enoxymethyl)propane
CID 74062411
3-Ethyl-3-(prop-1-enoxymethyl)oxetane
CID 85666303
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxetane
CID 85666305
3,3-Bis(2-methylprop-1-enoxymethyl)pentane
CID 87658857

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane?
The IUPAC name of 1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane (CID 15357021) is 1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane.
What is the SMILES notation for 1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane?
The canonical SMILES for 1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane is C/C=C/OCC(CC)(CO/C=C/C)CO/C=C/C.
What is the InChIKey of 1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane?
The InChIKey is LQYSBSJOLPSPRC-NYHHSSDGSA-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/b9-5+,10-6+,11-7+.
What are the key properties of 1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane?
1-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]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-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane is sourced from PubChem (CID 15357021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).