(2R)-4-methylidene-5-propyloxolane-2-carbaldehyde

C9H14O2 — CID 142619415

IUPAC(2R)-4-methylidene-5-propyloxolane-2-carbaldehyde
SMILESC=C1C[C@H](C=O)OC1CCC
InChIInChI=1S/C9H14O2/c1-3-4-9-7(2)5-8(6-10)11-9/h6,8-9H,2-5H2,1H3/t8-,9?/m1/s1
InChIKeyVKNJXDWDTJKBGF-VEDVMXKPSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds3

About (2R)-4-methylidene-5-propyloxolane-2-carbaldehyde

(2R)-4-methylidene-5-propyloxolane-2-carbaldehyde (PubChem CID 142619415) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2R)-4-methylidene-5-propyloxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-4-methylidene-5-propyloxolane-2-carbaldehyde
PubChem CID142619415
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2R)-4-methylidene-5-propyloxolane-2-carbaldehyde
SMILESC=C1C[C@H](C=O)OC1CCC
InChIInChI=1S/C9H14O2/c1-3-4-9-7(2)5-8(6-10)11-9/h6,8-9H,2-5H2,1H3/t8-,9?/m1/s1
InChIKeyVKNJXDWDTJKBGF-VEDVMXKPSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methylidene-5-propyloxolane-2-carbaldehyde?
The IUPAC name of (2R)-4-methylidene-5-propyloxolane-2-carbaldehyde (CID 142619415) is (2R)-4-methylidene-5-propyloxolane-2-carbaldehyde.
What is the SMILES notation for (2R)-4-methylidene-5-propyloxolane-2-carbaldehyde?
The canonical SMILES for (2R)-4-methylidene-5-propyloxolane-2-carbaldehyde is C=C1C[C@H](C=O)OC1CCC.
What is the InChIKey of (2R)-4-methylidene-5-propyloxolane-2-carbaldehyde?
The InChIKey is VKNJXDWDTJKBGF-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-9-7(2)5-8(6-10)11-9/h6,8-9H,2-5H2,1H3/t8-,9?/m1/s1.
What are the key properties of (2R)-4-methylidene-5-propyloxolane-2-carbaldehyde?
(2R)-4-methylidene-5-propyloxolane-2-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methylidene-5-propyloxolane-2-carbaldehyde is sourced from PubChem (CID 142619415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).