2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane

C18H30O5 — CID 10734910

IUPAC2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane
SMILESC=CCOCC(COCC=C)OC(COCC=C)COCC=C
InChIInChI=1S/C18H30O5/c1-5-9-19-13-17(14-20-10-6-2)23-18(15-21-11-7-3)16-22-12-8-4/h5-8,17-18H,1-4,9-16H2
InChIKeyOYHVYZKBRAVLGI-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.55
Rot. Bonds18

About 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane

2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane (PubChem CID 10734910) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane.

Molecular Properties

Compound Name2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane
PubChem CID10734910
Molecular FormulaC18H30O5
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane
SMILESC=CCOCC(COCC=C)OC(COCC=C)COCC=C
InChIInChI=1S/C18H30O5/c1-5-9-19-13-17(14-20-10-6-2)23-18(15-21-11-7-3)16-22-12-8-4/h5-8,17-18H,1-4,9-16H2
InChIKeyOYHVYZKBRAVLGI-UHFFFAOYSA-N
XLogP2.55
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane?
The IUPAC name of 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane (CID 10734910) is 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane.
What is the SMILES notation for 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane?
The canonical SMILES for 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane is C=CCOCC(COCC=C)OC(COCC=C)COCC=C.
What is the InChIKey of 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane?
The InChIKey is OYHVYZKBRAVLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O5/c1-5-9-19-13-17(14-20-10-6-2)23-18(15-21-11-7-3)16-22-12-8-4/h5-8,17-18H,1-4,9-16H2.
What are the key properties of 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane?
2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane has a molecular weight of 326.43 g/mol, XLogP of 2.55, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]-1,3-bis(prop-2-enoxy)propane is sourced from PubChem (CID 10734910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).