3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane

C14H26O2 — CID 59076838

IUPAC3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane
SMILESC=CCOCC(CC)(CC)COCC=CC
InChIInChI=1S/C14H26O2/c1-5-9-11-16-13-14(7-3,8-4)12-15-10-6-2/h5-6,9H,2,7-8,10-13H2,1,3-4H3
InChIKeyCIXVHWALXXMJSB-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.59
Rot. Bonds10

About 3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane

3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane (PubChem CID 59076838) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane.

Molecular Properties

Compound Name3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane
PubChem CID59076838
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane
SMILESC=CCOCC(CC)(CC)COCC=CC
InChIInChI=1S/C14H26O2/c1-5-9-11-16-13-14(7-3,8-4)12-15-10-6-2/h5-6,9H,2,7-8,10-13H2,1,3-4H3
InChIKeyCIXVHWALXXMJSB-UHFFFAOYSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane?
The IUPAC name of 3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane (CID 59076838) is 3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane.
What is the SMILES notation for 3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane?
The canonical SMILES for 3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane is C=CCOCC(CC)(CC)COCC=CC.
What is the InChIKey of 3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane?
The InChIKey is CIXVHWALXXMJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-9-11-16-13-14(7-3,8-4)12-15-10-6-2/h5-6,9H,2,7-8,10-13H2,1,3-4H3.
What are the key properties of 3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane?
3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane has a molecular weight of 226.36 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-2-enoxymethyl)-3-(prop-2-enoxymethyl)pentane is sourced from PubChem (CID 59076838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).