1,3-bis(prop-2-enoxy)butane

C10H18O2 — CID 57126273

IUPAC1,3-bis(prop-2-enoxy)butane
SMILESC=CCOCCC(C)OCC=C
InChIInChI=1S/C10H18O2/c1-4-7-11-9-6-10(3)12-8-5-2/h4-5,10H,1-2,6-9H2,3H3
InChIKeyUAJFMGRKBLOCPR-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds8

About 1,3-bis(prop-2-enoxy)butane

1,3-bis(prop-2-enoxy)butane (PubChem CID 57126273) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1,3-bis(prop-2-enoxy)butane.

Molecular Properties

Compound Name1,3-bis(prop-2-enoxy)butane
PubChem CID57126273
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1,3-bis(prop-2-enoxy)butane
SMILESC=CCOCCC(C)OCC=C
InChIInChI=1S/C10H18O2/c1-4-7-11-9-6-10(3)12-8-5-2/h4-5,10H,1-2,6-9H2,3H3
InChIKeyUAJFMGRKBLOCPR-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
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 1,3-bis(prop-2-enoxy)butane?
The IUPAC name of 1,3-bis(prop-2-enoxy)butane (CID 57126273) is 1,3-bis(prop-2-enoxy)butane.
What is the SMILES notation for 1,3-bis(prop-2-enoxy)butane?
The canonical SMILES for 1,3-bis(prop-2-enoxy)butane is C=CCOCCC(C)OCC=C.
What is the InChIKey of 1,3-bis(prop-2-enoxy)butane?
The InChIKey is UAJFMGRKBLOCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-7-11-9-6-10(3)12-8-5-2/h4-5,10H,1-2,6-9H2,3H3.
What are the key properties of 1,3-bis(prop-2-enoxy)butane?
1,3-bis(prop-2-enoxy)butane has a molecular weight of 170.25 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-2-enoxy)butane is sourced from PubChem (CID 57126273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).