1,2,3,4-tetrakis(prop-1-enoxy)butane

C16H26O4 — CID 54519891

IUPAC1,2,3,4-tetrakis(prop-1-enoxy)butane
SMILESCC=COCC(OC=CC)C(COC=CC)OC=CC
InChIInChI=1S/C16H26O4/c1-5-9-17-13-15(19-11-7-3)16(20-12-8-4)14-18-10-6-2/h5-12,15-16H,13-14H2,1-4H3
InChIKeyYPAQDGMKYTWVPK-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.92
Rot. Bonds11

About 1,2,3,4-tetrakis(prop-1-enoxy)butane

1,2,3,4-tetrakis(prop-1-enoxy)butane (PubChem CID 54519891) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1,2,3,4-tetrakis(prop-1-enoxy)butane.

Molecular Properties

Compound Name1,2,3,4-tetrakis(prop-1-enoxy)butane
PubChem CID54519891
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name1,2,3,4-tetrakis(prop-1-enoxy)butane
SMILESCC=COCC(OC=CC)C(COC=CC)OC=CC
InChIInChI=1S/C16H26O4/c1-5-9-17-13-15(19-11-7-3)16(20-12-8-4)14-18-10-6-2/h5-12,15-16H,13-14H2,1-4H3
InChIKeyYPAQDGMKYTWVPK-UHFFFAOYSA-N
XLogP3.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,2,3,4-tetrakis(prop-1-enoxy)butane?
The IUPAC name of 1,2,3,4-tetrakis(prop-1-enoxy)butane (CID 54519891) is 1,2,3,4-tetrakis(prop-1-enoxy)butane.
What is the SMILES notation for 1,2,3,4-tetrakis(prop-1-enoxy)butane?
The canonical SMILES for 1,2,3,4-tetrakis(prop-1-enoxy)butane is CC=COCC(OC=CC)C(COC=CC)OC=CC.
What is the InChIKey of 1,2,3,4-tetrakis(prop-1-enoxy)butane?
The InChIKey is YPAQDGMKYTWVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-5-9-17-13-15(19-11-7-3)16(20-12-8-4)14-18-10-6-2/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of 1,2,3,4-tetrakis(prop-1-enoxy)butane?
1,2,3,4-tetrakis(prop-1-enoxy)butane has a molecular weight of 282.38 g/mol, XLogP of 3.92, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrakis(prop-1-enoxy)butane is sourced from PubChem (CID 54519891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).