1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol

C6H10O4 — CID 140564246

IUPAC1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol
SMILESCC(O)COCC12OC1O2
InChIInChI=1S/C6H10O4/c1-4(7)2-8-3-6-5(9-6)10-6/h4-5,7H,2-3H2,1H3
InChIKeyHOOPGTQKODWOLI-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.53
Rot. Bonds4

About 1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol

1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol (PubChem CID 140564246) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol
PubChem CID140564246
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol
SMILESCC(O)COCC12OC1O2
InChIInChI=1S/C6H10O4/c1-4(7)2-8-3-6-5(9-6)10-6/h4-5,7H,2-3H2,1H3
InChIKeyHOOPGTQKODWOLI-UHFFFAOYSA-N
XLogP-0.53
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol (CID 140564246) is 1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol is CC(O)COCC12OC1O2.
What is the InChIKey of 1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol?
The InChIKey is HOOPGTQKODWOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-4(7)2-8-3-6-5(9-6)10-6/h4-5,7H,2-3H2,1H3.
What are the key properties of 1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol?
1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol has a molecular weight of 146.14 g/mol, XLogP of -0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxabicyclo[1.1.0]butan-1-ylmethoxy)propan-2-ol is sourced from PubChem (CID 140564246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).