7-oxabicyclo[4.1.0]heptane-1-carbaldehyde

C7H10O2 — CID 12629869

IUPAC7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
SMILESO=CC12CCCCC1O2
InChIInChI=1S/C7H10O2/c8-5-7-4-2-1-3-6(7)9-7/h5-6H,1-4H2
InChIKeyLIEHUKGXYCBIKA-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.90
Rot. Bonds1

About 7-oxabicyclo[4.1.0]heptane-1-carbaldehyde

7-oxabicyclo[4.1.0]heptane-1-carbaldehyde (PubChem CID 12629869) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 7-oxabicyclo[4.1.0]heptane-1-carbaldehyde.

Molecular Properties

Compound Name7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
PubChem CID12629869
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
SMILESO=CC12CCCCC1O2
InChIInChI=1S/C7H10O2/c8-5-7-4-2-1-3-6(7)9-7/h5-6H,1-4H2
InChIKeyLIEHUKGXYCBIKA-UHFFFAOYSA-N
XLogP0.90
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-7-oxabicyclo(4.1.0)heptan-2-one
CID 89547
Ethanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)-
CID 536253
1-Methyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 12771785
1-(1S,6R)-7-Oxabicyclo[4.1.0]hept-1-ylethanone
CID 11600683
(1S,6S)-6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 12215835
3-Cyclohexyloxirane-2-carbaldehyde
CID 72960721
6-Ethyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 74956311
1-(7-Oxabicyclo[4.1.0]hept-1-yl)butan-1-one
CID 129741955
Epoxy cyclohexane-3-carbaldehyde
CID 140009448
(2R,3S)-3-(cyclohexylmethyl)oxirane-2-carbaldehyde
CID 11159553
(1R,6R)-6-methyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 12215833
(1R,6S)-7-oxabicyclo[4.1.0]heptane-1-carbaldehyde
CID 12629870

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[4.1.0]heptane-1-carbaldehyde?
The IUPAC name of 7-oxabicyclo[4.1.0]heptane-1-carbaldehyde (CID 12629869) is 7-oxabicyclo[4.1.0]heptane-1-carbaldehyde.
What is the SMILES notation for 7-oxabicyclo[4.1.0]heptane-1-carbaldehyde?
The canonical SMILES for 7-oxabicyclo[4.1.0]heptane-1-carbaldehyde is O=CC12CCCCC1O2.
What is the InChIKey of 7-oxabicyclo[4.1.0]heptane-1-carbaldehyde?
The InChIKey is LIEHUKGXYCBIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-5-7-4-2-1-3-6(7)9-7/h5-6H,1-4H2.
What are the key properties of 7-oxabicyclo[4.1.0]heptane-1-carbaldehyde?
7-oxabicyclo[4.1.0]heptane-1-carbaldehyde has a molecular weight of 126.16 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[4.1.0]heptane-1-carbaldehyde is sourced from PubChem (CID 12629869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).