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

C13H24O3 — CID 11128061

IUPAC1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane
SMILESC/C=C/OCC(CC)(COC)CO/C=C/C
InChIInChI=1S/C13H24O3/c1-5-8-15-11-13(7-3,10-14-4)12-16-9-6-2/h5-6,8-9H,7,10-12H2,1-4H3/b8-5+,9-6+
InChIKeyBMFSFMKPPNJZBC-XVYDYJIPSA-N
MW228.33 g/mol
LogP3.13
Rot. Bonds9

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

1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane (PubChem CID 11128061) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane.

Molecular Properties

Compound Name1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane
PubChem CID11128061
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane
SMILESC/C=C/OCC(CC)(COC)CO/C=C/C
InChIInChI=1S/C13H24O3/c1-5-8-15-11-13(7-3,10-14-4)12-16-9-6-2/h5-6,8-9H,7,10-12H2,1-4H3/b8-5+,9-6+
InChIKeyBMFSFMKPPNJZBC-XVYDYJIPSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.13
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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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-[(E)-prop-1-enoxy]-2,2-bis[[(E)-prop-1-enoxy]methyl]butane
CID 15357021
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

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane?
The IUPAC name of 1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane (CID 11128061) is 1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane.
What is the SMILES notation for 1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane?
The canonical SMILES for 1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane is C/C=C/OCC(CC)(COC)CO/C=C/C.
What is the InChIKey of 1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane?
The InChIKey is BMFSFMKPPNJZBC-XVYDYJIPSA-N. The full InChI is InChI=1S/C13H24O3/c1-5-8-15-11-13(7-3,10-14-4)12-16-9-6-2/h5-6,8-9H,7,10-12H2,1-4H3/b8-5+,9-6+.
What are the key properties of 1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane?
1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane has a molecular weight of 228.33 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2-bis[[(E)-prop-1-enoxy]methyl]butane is sourced from PubChem (CID 11128061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).