2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane

C16H34F6O3 — CID 158609624

IUPAC2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane
SMILESC.C.C=CC(=O)OCCOC(C)CC.CCF.CF.FCC(F)(F)F
InChIInChI=1S/C9H16O3.C2H2F4.C2H5F.CH3F.2CH4/c1-4-8(3)11-6-7-12-9(10)5-2;3-1-2(4,5)6;1-2-3;1-2;;/h5,8H,2,4,6-7H2,1,3H3;1H2;2H2,1H3;1H3;2*1H4
InChIKeyHWRAJMOXMATDIO-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.88
Rot. Bonds6

About 2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane

2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane (PubChem CID 158609624) has the molecular formula C16H34F6O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane.

Molecular Properties

Compound Name2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane
PubChem CID158609624
Molecular FormulaC16H34F6O3
Molecular Weight388.43 g/mol
Exact Mass388.24
IUPAC Name2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane
SMILESC.C.C=CC(=O)OCCOC(C)CC.CCF.CF.FCC(F)(F)F
InChIInChI=1S/C9H16O3.C2H2F4.C2H5F.CH3F.2CH4/c1-4-8(3)11-6-7-12-9(10)5-2;3-1-2(4,5)6;1-2-3;1-2;;/h5,8H,2,4,6-7H2,1,3H3;1H2;2H2,1H3;1H3;2*1H4
InChIKeyHWRAJMOXMATDIO-UHFFFAOYSA-N
XLogP5.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate
CID 135130322
bis(prop-1-ene);2-[2-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118062251
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565
2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate
CID 165147394
2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate
CID 58040725
2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
CID 140791658
2-tri(butan-2-yloxy)silylethyl prop-2-enoate
CID 142675129
2-(4-ethyl-4-prop-2-enoyloxyhexan-3-yl)oxyethyl prop-2-enoate
CID 150676668
2-(1-triethoxysilylethoxy)ethyl prop-2-enoate
CID 175059321
3-[3-methyl-3-(2-prop-2-enoyloxyethoxy)butoxy]butyl prop-2-enoate
CID 89231934
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane?
The IUPAC name of 2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane (CID 158609624) is 2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane.
What is the SMILES notation for 2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane?
The canonical SMILES for 2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane is C.C.C=CC(=O)OCCOC(C)CC.CCF.CF.FCC(F)(F)F.
What is the InChIKey of 2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane?
The InChIKey is HWRAJMOXMATDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3.C2H2F4.C2H5F.CH3F.2CH4/c1-4-8(3)11-6-7-12-9(10)5-2;3-1-2(4,5)6;1-2-3;1-2;;/h5,8H,2,4,6-7H2,1,3H3;1H2;2H2,1H3;1H3;2*1H4.
What are the key properties of 2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane?
2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane has a molecular weight of 388.43 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxyethyl prop-2-enoate;fluoroethane;fluoromethane;methane;1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 158609624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).