2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate

C12H22O5 — CID 135130322

IUPAC2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(C)COC(C)COC
InChIInChI=1S/C12H22O5/c1-5-12(13)16-7-6-15-11(3)9-17-10(2)8-14-4/h5,10-11H,1,6-9H2,2-4H3
InChIKeyWAEIOPOZVMERKN-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.17
Rot. Bonds10

About 2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate

2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate (PubChem CID 135130322) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate
PubChem CID135130322
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(C)COC(C)COC
InChIInChI=1S/C12H22O5/c1-5-12(13)16-7-6-15-11(3)9-17-10(2)8-14-4/h5,10-11H,1,6-9H2,2-4H3
InChIKeyWAEIOPOZVMERKN-UHFFFAOYSA-N
XLogP1.17
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[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
bis(prop-1-ene);2-[2-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118062251
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 87968331
2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
CID 140791658
2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate
CID 170150798
2-(2-hydroperoxypropoxy)ethyl prop-2-enoate
CID 118433563
2-[2,3-bis(1-prop-2-enoyloxypropan-2-yloxy)propoxy]propyl prop-2-enoate
CID 138059610
2-[1-[2-[2-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)propoxy]propoxy]propoxy]propan-2-yloxycarbonylamino]ethyl prop-2-enoate
CID 153411308

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate?
The IUPAC name of 2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate (CID 135130322) is 2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate is C=CC(=O)OCCOC(C)COC(C)COC.
What is the InChIKey of 2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate?
The InChIKey is WAEIOPOZVMERKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-5-12(13)16-7-6-15-11(3)9-17-10(2)8-14-4/h5,10-11H,1,6-9H2,2-4H3.
What are the key properties of 2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate?
2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate has a molecular weight of 246.30 g/mol, XLogP of 1.17, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate is sourced from PubChem (CID 135130322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).