2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane

C15H26O3 — CID 87770033

IUPAC2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane
SMILESC=CCOCCC(C)(COCC=C)COCC=C
InChIInChI=1S/C15H26O3/c1-5-9-16-12-8-15(4,13-17-10-6-2)14-18-11-7-3/h5-7H,1-3,8-14H2,4H3
InChIKeyIOZKFDWOTSVPHT-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.99
Rot. Bonds13

About 2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane

2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane (PubChem CID 87770033) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane.

Molecular Properties

Compound Name2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane
PubChem CID87770033
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane
SMILESC=CCOCCC(C)(COCC=C)COCC=C
InChIInChI=1S/C15H26O3/c1-5-9-16-12-8-15(4,13-17-10-6-2)14-18-11-7-3/h5-7H,1-3,8-14H2,4H3
InChIKeyIOZKFDWOTSVPHT-UHFFFAOYSA-N
XLogP2.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.99
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
3-[(Allyloxy)methyl]-3-ethyloxetane
CID 15250358
Butane, 1-(2-propen-1-yloxy)-2,2-bis[(2-propen-1-yloxy)methyl]-
CID 69628
3-{2,2-Dimethyl-3-[(prop-2-en-1-yl)oxy]propoxy}prop-1-ene
CID 57118882
1-Methoxy-1,1-dimethyl-3-prop-2-enyloxypropane
CID 44602792
(2,2-Bis((allyloxy)methyl)butoxy)trimethylsilane
CID 86204655
3-[3-(Allyloxy)-2-[(allyloxy)methyl]-2-methylpropoxy]propene
CID 10657693
1-Methoxy-4-prop-2-enoxybutane
CID 13445102
2-(Prop-2-enoxymethyl)-2-(propoxymethyl)butan-1-ol
CID 13782174
3,3-Dimethyl-1-prop-2-enoxybutane
CID 16726369
2-Methyl-1-prop-2-enoxy-2-(prop-2-enoxymethyl)butane
CID 18759458

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane?
The IUPAC name of 2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane (CID 87770033) is 2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane.
What is the SMILES notation for 2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane?
The canonical SMILES for 2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane is C=CCOCCC(C)(COCC=C)COCC=C.
What is the InChIKey of 2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane?
The InChIKey is IOZKFDWOTSVPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-5-9-16-12-8-15(4,13-17-10-6-2)14-18-11-7-3/h5-7H,1-3,8-14H2,4H3.
What are the key properties of 2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane?
2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane has a molecular weight of 254.37 g/mol, XLogP of 2.99, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)butane is sourced from PubChem (CID 87770033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).