3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane

C15H28O2 — CID 87974169

IUPAC3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane
SMILESC=COC(C(C)C)C(OC=C)(C(C)C)C(C)C
InChIInChI=1S/C15H28O2/c1-9-16-14(11(3)4)15(12(5)6,13(7)8)17-10-2/h9-14H,1-2H2,3-8H3
InChIKeyJIQMJAJQUWOYPM-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.38
Rot. Bonds8

About 3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane

3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane (PubChem CID 87974169) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane.

Molecular Properties

Compound Name3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane
PubChem CID87974169
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane
SMILESC=COC(C(C)C)C(OC=C)(C(C)C)C(C)C
InChIInChI=1S/C15H28O2/c1-9-16-14(11(3)4)15(12(5)6,13(7)8)17-10-2/h9-14H,1-2H2,3-8H3
InChIKeyJIQMJAJQUWOYPM-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.38
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 3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane?
The IUPAC name of 3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane (CID 87974169) is 3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane.
What is the SMILES notation for 3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane?
The canonical SMILES for 3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane is C=COC(C(C)C)C(OC=C)(C(C)C)C(C)C.
What is the InChIKey of 3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane?
The InChIKey is JIQMJAJQUWOYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-9-16-14(11(3)4)15(12(5)6,13(7)8)17-10-2/h9-14H,1-2H2,3-8H3.
What are the key properties of 3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane?
3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane has a molecular weight of 240.39 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenoxy)-2,5-dimethyl-3-propan-2-ylhexane is sourced from PubChem (CID 87974169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).