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

C10H18O2 — CID 139984963

IUPAC2,3-bis(prop-1-enoxy)butane
SMILESCC=COC(C)C(C)OC=CC
InChIInChI=1S/C10H18O2/c1-5-7-11-9(3)10(4)12-8-6-2/h5-10H,1-4H3
InChIKeyBUGHJZUWLXRFMM-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.86
Rot. Bonds5

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

2,3-bis(prop-1-enoxy)butane (PubChem CID 139984963) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,3-bis(prop-1-enoxy)butane.

Molecular Properties

Compound Name2,3-bis(prop-1-enoxy)butane
PubChem CID139984963
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,3-bis(prop-1-enoxy)butane
SMILESCC=COC(C)C(C)OC=CC
InChIInChI=1S/C10H18O2/c1-5-7-11-9(3)10(4)12-8-6-2/h5-10H,1-4H3
InChIKeyBUGHJZUWLXRFMM-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,3-bis(prop-1-enoxy)butane?
The IUPAC name of 2,3-bis(prop-1-enoxy)butane (CID 139984963) is 2,3-bis(prop-1-enoxy)butane.
What is the SMILES notation for 2,3-bis(prop-1-enoxy)butane?
The canonical SMILES for 2,3-bis(prop-1-enoxy)butane is CC=COC(C)C(C)OC=CC.
What is the InChIKey of 2,3-bis(prop-1-enoxy)butane?
The InChIKey is BUGHJZUWLXRFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-7-11-9(3)10(4)12-8-6-2/h5-10H,1-4H3.
What are the key properties of 2,3-bis(prop-1-enoxy)butane?
2,3-bis(prop-1-enoxy)butane has a molecular weight of 170.25 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(prop-1-enoxy)butane is sourced from PubChem (CID 139984963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).