2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane

C14H26O4 — CID 152520167

IUPAC2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane
SMILESCCC=COCCCC1CC(OC)(OC)CCO1
InChIInChI=1S/C14H26O4/c1-4-5-9-17-10-6-7-13-12-14(15-2,16-3)8-11-18-13/h5,9,13H,4,6-8,10-12H2,1-3H3
InChIKeyYHIXGTQTAMCUET-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.88
Rot. Bonds8

About 2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane

2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane (PubChem CID 152520167) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane.

Molecular Properties

Compound Name2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane
PubChem CID152520167
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane
SMILESCCC=COCCCC1CC(OC)(OC)CCO1
InChIInChI=1S/C14H26O4/c1-4-5-9-17-10-6-7-13-12-14(15-2,16-3)8-11-18-13/h5,9,13H,4,6-8,10-12H2,1-3H3
InChIKeyYHIXGTQTAMCUET-UHFFFAOYSA-N
XLogP2.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane?
The IUPAC name of 2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane (CID 152520167) is 2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane.
What is the SMILES notation for 2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane?
The canonical SMILES for 2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane is CCC=COCCCC1CC(OC)(OC)CCO1.
What is the InChIKey of 2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane?
The InChIKey is YHIXGTQTAMCUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-4-5-9-17-10-6-7-13-12-14(15-2,16-3)8-11-18-13/h5,9,13H,4,6-8,10-12H2,1-3H3.
What are the key properties of 2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane?
2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane has a molecular weight of 258.36 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-but-1-enoxypropyl)-4,4-dimethoxyoxane is sourced from PubChem (CID 152520167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).