(4R)-4-propyloxolane-2-carbaldehyde

C8H14O2 — CID 174984607

IUPAC(4R)-4-propyloxolane-2-carbaldehyde
SMILESCCC[C@H]1COC(C=O)C1
InChIInChI=1S/C8H14O2/c1-2-3-7-4-8(5-9)10-6-7/h5,7-8H,2-4,6H2,1H3/t7-,8?/m1/s1
InChIKeyOTRNIDDHLDWHDB-GVHYBUMESA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds3

About (4R)-4-propyloxolane-2-carbaldehyde

(4R)-4-propyloxolane-2-carbaldehyde (PubChem CID 174984607) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (4R)-4-propyloxolane-2-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-propyloxolane-2-carbaldehyde
PubChem CID174984607
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(4R)-4-propyloxolane-2-carbaldehyde
SMILESCCC[C@H]1COC(C=O)C1
InChIInChI=1S/C8H14O2/c1-2-3-7-4-8(5-9)10-6-7/h5,7-8H,2-4,6H2,1H3/t7-,8?/m1/s1
InChIKeyOTRNIDDHLDWHDB-GVHYBUMESA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
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

(4R)-4-aminooxolane-2-carbaldehyde
CID 174912093
[(4S)-4-propyloxolan-2-yl]methanol
CID 145357706
(4-propyloxolan-2-yl)methanol
CID 130129945
2,5-dipropyl-1,3-dioxane
CID 21043213
4-propyldioxolane
CID 174817920
2,5-dipropyloxane
CID 118909754
2-tert-butyl-5-propyl-1,3-dioxane
CID 152649070
(2S,4S,5S)-4-hydroxy-5-pentyloxolane-2-carbaldehyde
CID 42642816
oxirane-2-carbaldehyde;silane
CID 173157957
CID 59269076
CID 59269076
(2S,5S)-5-methyl-1,4-dioxane-2-carbaldehyde
CID 123278427
(2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 18603493

Frequently Asked Questions

What is the IUPAC name of (4R)-4-propyloxolane-2-carbaldehyde?
The IUPAC name of (4R)-4-propyloxolane-2-carbaldehyde (CID 174984607) is (4R)-4-propyloxolane-2-carbaldehyde.
What is the SMILES notation for (4R)-4-propyloxolane-2-carbaldehyde?
The canonical SMILES for (4R)-4-propyloxolane-2-carbaldehyde is CCC[C@H]1COC(C=O)C1.
What is the InChIKey of (4R)-4-propyloxolane-2-carbaldehyde?
The InChIKey is OTRNIDDHLDWHDB-GVHYBUMESA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-7-4-8(5-9)10-6-7/h5,7-8H,2-4,6H2,1H3/t7-,8?/m1/s1.
What are the key properties of (4R)-4-propyloxolane-2-carbaldehyde?
(4R)-4-propyloxolane-2-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-propyloxolane-2-carbaldehyde is sourced from PubChem (CID 174984607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).