2-(oxan-4-yl)acetaldehyde;propane

C10H20O2 — CID 145213291

IUPAC2-(oxan-4-yl)acetaldehyde;propane
SMILESCCC.O=CCC1CCOCC1
InChIInChI=1S/C7H12O2.C3H8/c8-4-1-7-2-5-9-6-3-7;1-3-2/h4,7H,1-3,5-6H2;3H2,1-2H3
InChIKeyFGPCZIKMUGKARF-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.42
Rot. Bonds2

About 2-(oxan-4-yl)acetaldehyde;propane

2-(oxan-4-yl)acetaldehyde;propane (PubChem CID 145213291) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(oxan-4-yl)acetaldehyde;propane.

Molecular Properties

Compound Name2-(oxan-4-yl)acetaldehyde;propane
PubChem CID145213291
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-(oxan-4-yl)acetaldehyde;propane
SMILESCCC.O=CCC1CCOCC1
InChIInChI=1S/C7H12O2.C3H8/c8-4-1-7-2-5-9-6-3-7;1-3-2/h4,7H,1-3,5-6H2;3H2,1-2H3
InChIKeyFGPCZIKMUGKARF-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.42
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

4-[(E)-pent-2-enyl]oxane
CID 134407828
4-[(E)-but-2-enyl]oxane
CID 166726041
2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde
CID 87141647
2,2-dimethyl-3-(oxan-4-yl)propanal
CID 87406928
ethyl 4-(oxan-4-yl)but-2-enoate
CID 68938273
2-piperidin-4-ylacetaldehyde
CID 23401441
2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde
CID 143745622
2-cyclohexylacetaldehyde;rubidium(1+)
CID 59915756
2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde
CID 79920668
1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde
CID 130664231
4-(5-chloropent-2-enyl)oxane
CID 79604115
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)acetaldehyde;propane?
The IUPAC name of 2-(oxan-4-yl)acetaldehyde;propane (CID 145213291) is 2-(oxan-4-yl)acetaldehyde;propane.
What is the SMILES notation for 2-(oxan-4-yl)acetaldehyde;propane?
The canonical SMILES for 2-(oxan-4-yl)acetaldehyde;propane is CCC.O=CCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)acetaldehyde;propane?
The InChIKey is FGPCZIKMUGKARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C3H8/c8-4-1-7-2-5-9-6-3-7;1-3-2/h4,7H,1-3,5-6H2;3H2,1-2H3.
What are the key properties of 2-(oxan-4-yl)acetaldehyde;propane?
2-(oxan-4-yl)acetaldehyde;propane has a molecular weight of 172.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)acetaldehyde;propane is sourced from PubChem (CID 145213291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).