2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde

C12H14O5 — CID 57209471

IUPAC2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde
SMILESO=CC1(OC2(C=O)CCC3OC32)CCC2OC21
InChIInChI=1S/C12H14O5/c13-5-11(3-1-7-9(11)15-7)17-12(6-14)4-2-8-10(12)16-8/h5-10H,1-4H2
InChIKeyRHPKFBAVPOZXMM-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.00
Rot. Bonds4

About 2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde

2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde (PubChem CID 57209471) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde.

Molecular Properties

Compound Name2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde
PubChem CID57209471
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde
SMILESO=CC1(OC2(C=O)CCC3OC32)CCC2OC21
InChIInChI=1S/C12H14O5/c13-5-11(3-1-7-9(11)15-7)17-12(6-14)4-2-8-10(12)16-8/h5-10H,1-4H2
InChIKeyRHPKFBAVPOZXMM-UHFFFAOYSA-N
XLogP0.00
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde?
The IUPAC name of 2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde (CID 57209471) is 2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde.
What is the SMILES notation for 2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde?
The canonical SMILES for 2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde is O=CC1(OC2(C=O)CCC3OC32)CCC2OC21.
What is the InChIKey of 2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde?
The InChIKey is RHPKFBAVPOZXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c13-5-11(3-1-7-9(11)15-7)17-12(6-14)4-2-8-10(12)16-8/h5-10H,1-4H2.
What are the key properties of 2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde?
2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde has a molecular weight of 238.24 g/mol, XLogP of 0.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-formyl-6-oxabicyclo[3.1.0]hexan-2-yl)oxy]-6-oxabicyclo[3.1.0]hexane-2-carbaldehyde is sourced from PubChem (CID 57209471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).