1,3-bis(ethenoxy)-2-methylpropane

C8H14O2 — CID 57216011

IUPAC1,3-bis(ethenoxy)-2-methylpropane
SMILESC=COCC(C)COC=C
InChIInChI=1S/C8H14O2/c1-4-9-6-8(3)7-10-5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyYCADXCSWOBLSPP-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.94
Rot. Bonds6

About 1,3-bis(ethenoxy)-2-methylpropane

1,3-bis(ethenoxy)-2-methylpropane (PubChem CID 57216011) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1,3-bis(ethenoxy)-2-methylpropane.

Molecular Properties

Compound Name1,3-bis(ethenoxy)-2-methylpropane
PubChem CID57216011
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1,3-bis(ethenoxy)-2-methylpropane
SMILESC=COCC(C)COC=C
InChIInChI=1S/C8H14O2/c1-4-9-6-8(3)7-10-5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyYCADXCSWOBLSPP-UHFFFAOYSA-N
XLogP1.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenoxy)-2-methylpropane?
The IUPAC name of 1,3-bis(ethenoxy)-2-methylpropane (CID 57216011) is 1,3-bis(ethenoxy)-2-methylpropane.
What is the SMILES notation for 1,3-bis(ethenoxy)-2-methylpropane?
The canonical SMILES for 1,3-bis(ethenoxy)-2-methylpropane is C=COCC(C)COC=C.
What is the InChIKey of 1,3-bis(ethenoxy)-2-methylpropane?
The InChIKey is YCADXCSWOBLSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-9-6-8(3)7-10-5-2/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 1,3-bis(ethenoxy)-2-methylpropane?
1,3-bis(ethenoxy)-2-methylpropane has a molecular weight of 142.20 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenoxy)-2-methylpropane is sourced from PubChem (CID 57216011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).