2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde

C10H14O2 — CID 130704901

IUPAC2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
SMILESO=CC1(C2CC2)CC2CCC1O2
InChIInChI=1S/C10H14O2/c11-6-10(7-1-2-7)5-8-3-4-9(10)12-8/h6-9H,1-5H2
InChIKeyHBJIBZNXZXRVMX-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.53
Rot. Bonds2

About 2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde

2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde (PubChem CID 130704901) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
PubChem CID130704901
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
SMILESO=CC1(C2CC2)CC2CCC1O2
InChIInChI=1S/C10H14O2/c11-6-10(7-1-2-7)5-8-3-4-9(10)12-8/h6-9H,1-5H2
InChIKeyHBJIBZNXZXRVMX-UHFFFAOYSA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
CID 126997991
2-prop-2-ynyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
CID 130721025
2-but-2-ynyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
CID 130631979
2-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
CID 130690475
spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxetane]-2',4'-dione
CID 174808889
(1R,2R,4R)-2-chloro-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124630487
2-cyclopentylbicyclo[2.2.1]heptane-2-carbaldehyde
CID 130743522
2-(furan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
CID 130690467
(1R,2R,4S)-spiro[7-oxabicyclo[2.2.1]heptane-2,3'-oxolane]-2',5'-dione
CID 131985112
2-(5-oxaspiro[3.5]nonan-8-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79922421
2-(1-hydroxy-2,2-dimethylcyclopentyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 79863326
(1S,2R,4R)-2-(aminomethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 138040067

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde?
The IUPAC name of 2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde (CID 130704901) is 2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde is O=CC1(C2CC2)CC2CCC1O2.
What is the InChIKey of 2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde?
The InChIKey is HBJIBZNXZXRVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-6-10(7-1-2-7)5-8-3-4-9(10)12-8/h6-9H,1-5H2.
What are the key properties of 2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde?
2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde has a molecular weight of 166.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde is sourced from PubChem (CID 130704901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).