1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane

C25H44O8 — CID 20660355

IUPAC1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane
SMILESC=CCOCCOCC(COCCOCC=C)(COCCOCC=C)COCCOCC=C
InChIInChI=1S/C25H44O8/c1-5-9-26-13-17-30-21-25(22-31-18-14-27-10-6-2,23-32-19-15-28-11-7-3)24-33-20-16-29-12-8-4/h5-8H,1-4,9-24H2
InChIKeyDBXZUHXJENOUMQ-UHFFFAOYSA-N
MW472.62 g/mol
LogP2.85
Rot. Bonds28

About 1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane

1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane (PubChem CID 20660355) has the molecular formula C25H44O8 and a molecular weight of 472.62 g/mol. Its IUPAC name is 1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane.

Molecular Properties

Compound Name1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane
PubChem CID20660355
Molecular FormulaC25H44O8
Molecular Weight472.62 g/mol
Exact Mass472.30
IUPAC Name1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane
SMILESC=CCOCCOCC(COCCOCC=C)(COCCOCC=C)COCCOCC=C
InChIInChI=1S/C25H44O8/c1-5-9-26-13-17-30-21-25(22-31-18-14-27-10-6-2,23-32-19-15-28-11-7-3)24-33-20-16-29-12-8-4/h5-8H,1-4,9-24H2
InChIKeyDBXZUHXJENOUMQ-UHFFFAOYSA-N
XLogP2.85
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane?
The IUPAC name of 1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane (CID 20660355) is 1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane.
What is the SMILES notation for 1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane?
The canonical SMILES for 1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane is C=CCOCCOCC(COCCOCC=C)(COCCOCC=C)COCCOCC=C.
What is the InChIKey of 1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane?
The InChIKey is DBXZUHXJENOUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O8/c1-5-9-26-13-17-30-21-25(22-31-18-14-27-10-6-2,23-32-19-15-28-11-7-3)24-33-20-16-29-12-8-4/h5-8H,1-4,9-24H2.
What are the key properties of 1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane?
1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane has a molecular weight of 472.62 g/mol, XLogP of 2.85, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-prop-2-enoxyethoxy)-2,2-bis(2-prop-2-enoxyethoxymethyl)propane is sourced from PubChem (CID 20660355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).