1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane

C12H22O3 — CID 155312790

IUPAC1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane
SMILESC=COCCC(C)(C)OCC(C)OC=C
InChIInChI=1S/C12H22O3/c1-6-13-9-8-12(4,5)15-10-11(3)14-7-2/h6-7,11H,1-2,8-10H2,3-5H3
InChIKeyHFSAZDIDPPVSIC-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.88
Rot. Bonds9

About 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane

1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane (PubChem CID 155312790) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane.

Molecular Properties

Compound Name1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane
PubChem CID155312790
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane
SMILESC=COCCC(C)(C)OCC(C)OC=C
InChIInChI=1S/C12H22O3/c1-6-13-9-8-12(4,5)15-10-11(3)14-7-2/h6-7,11H,1-2,8-10H2,3-5H3
InChIKeyHFSAZDIDPPVSIC-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane?
The IUPAC name of 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane (CID 155312790) is 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane.
What is the SMILES notation for 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane?
The canonical SMILES for 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane is C=COCCC(C)(C)OCC(C)OC=C.
What is the InChIKey of 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane?
The InChIKey is HFSAZDIDPPVSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-6-13-9-8-12(4,5)15-10-11(3)14-7-2/h6-7,11H,1-2,8-10H2,3-5H3.
What are the key properties of 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane?
1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane has a molecular weight of 214.30 g/mol, XLogP of 2.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3-(2-ethenoxypropoxy)-3-methylbutane is sourced from PubChem (CID 155312790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).