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

C13H24O3 — CID 58627330

IUPAC1-methoxy-2,2-bis(prop-2-enoxymethyl)butane
SMILESC=CCOCC(CC)(COC)COCC=C
InChIInChI=1S/C13H24O3/c1-5-8-15-11-13(7-3,10-14-4)12-16-9-6-2/h5-6H,1-2,7-12H2,3-4H3
InChIKeyWRLUDGINVARGCY-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.43
Rot. Bonds11

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

1-methoxy-2,2-bis(prop-2-enoxymethyl)butane (PubChem CID 58627330) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-methoxy-2,2-bis(prop-2-enoxymethyl)butane.

Molecular Properties

Compound Name1-methoxy-2,2-bis(prop-2-enoxymethyl)butane
PubChem CID58627330
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name1-methoxy-2,2-bis(prop-2-enoxymethyl)butane
SMILESC=CCOCC(CC)(COC)COCC=C
InChIInChI=1S/C13H24O3/c1-5-8-15-11-13(7-3,10-14-4)12-16-9-6-2/h5-6H,1-2,7-12H2,3-4H3
InChIKeyWRLUDGINVARGCY-UHFFFAOYSA-N
XLogP2.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.43
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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Related Compounds

Trimethylolpropane diallyl ether
CID 61196
Trimethylolpropane monoallyl ether
CID 12683
1-Propene, 3-[3-(3-methoxypropoxy)propoxy]-
CID 105682
1,3-Propanediol, 2-ethyl-2-[(2-propen-1-yloxy)methyl]-, 1,3-diacetate
CID 23064734
3-[(Allyloxy)methyl]-3-ethyloxetane
CID 15250358
Butane, 1-(2-propen-1-yloxy)-2,2-bis[(2-propen-1-yloxy)methyl]-
CID 69628
Titanium, bis(2,2-bis((2-propenyloxy)methyl)-1-butanolato-kappaO)bis(2-((2-propenyloxy-kappaO)methyl)-2-((2-propenyloxy)methyl)-1-butanolato-kappaO)-
CID 172132
2,2-Bis(prop-2-enoxymethyl)butyl acetate
CID 20357965
(2-Methylbutyl)allyl ether
CID 13315701
Allyl neopentyl ether
CID 20038083
3-{2,2-Dimethyl-3-[(prop-2-en-1-yl)oxy]propoxy}prop-1-ene
CID 57118882
2,2-Bis(prop-2-enoxymethyl)butoxy-difluorophosphane
CID 146623190

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2-bis(prop-2-enoxymethyl)butane?
The IUPAC name of 1-methoxy-2,2-bis(prop-2-enoxymethyl)butane (CID 58627330) is 1-methoxy-2,2-bis(prop-2-enoxymethyl)butane.
What is the SMILES notation for 1-methoxy-2,2-bis(prop-2-enoxymethyl)butane?
The canonical SMILES for 1-methoxy-2,2-bis(prop-2-enoxymethyl)butane is C=CCOCC(CC)(COC)COCC=C.
What is the InChIKey of 1-methoxy-2,2-bis(prop-2-enoxymethyl)butane?
The InChIKey is WRLUDGINVARGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-5-8-15-11-13(7-3,10-14-4)12-16-9-6-2/h5-6H,1-2,7-12H2,3-4H3.
What are the key properties of 1-methoxy-2,2-bis(prop-2-enoxymethyl)butane?
1-methoxy-2,2-bis(prop-2-enoxymethyl)butane has a molecular weight of 228.33 g/mol, XLogP of 2.43, 11 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(prop-2-enoxymethyl)butane is sourced from PubChem (CID 58627330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).