(2R)-5-prop-2-ynyloxolane-2-carbaldehyde

C8H10O2 — CID 175206354

IUPAC(2R)-5-prop-2-ynyloxolane-2-carbaldehyde
SMILESC#CCC1CC[C@H](C=O)O1
InChIInChI=1S/C8H10O2/c1-2-3-7-4-5-8(6-9)10-7/h1,6-8H,3-5H2/t7?,8-/m1/s1
InChIKeyQSAITYOUEVPOCE-BRFYHDHCSA-N
MW138.17 g/mol
LogP0.76
Rot. Bonds2

About (2R)-5-prop-2-ynyloxolane-2-carbaldehyde

(2R)-5-prop-2-ynyloxolane-2-carbaldehyde (PubChem CID 175206354) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (2R)-5-prop-2-ynyloxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-5-prop-2-ynyloxolane-2-carbaldehyde
PubChem CID175206354
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(2R)-5-prop-2-ynyloxolane-2-carbaldehyde
SMILESC#CCC1CC[C@H](C=O)O1
InChIInChI=1S/C8H10O2/c1-2-3-7-4-5-8(6-9)10-7/h1,6-8H,3-5H2/t7?,8-/m1/s1
InChIKeyQSAITYOUEVPOCE-BRFYHDHCSA-N
XLogP0.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-prop-2-ynyloxolane-2-carbaldehyde?
The IUPAC name of (2R)-5-prop-2-ynyloxolane-2-carbaldehyde (CID 175206354) is (2R)-5-prop-2-ynyloxolane-2-carbaldehyde.
What is the SMILES notation for (2R)-5-prop-2-ynyloxolane-2-carbaldehyde?
The canonical SMILES for (2R)-5-prop-2-ynyloxolane-2-carbaldehyde is C#CCC1CC[C@H](C=O)O1.
What is the InChIKey of (2R)-5-prop-2-ynyloxolane-2-carbaldehyde?
The InChIKey is QSAITYOUEVPOCE-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-3-7-4-5-8(6-9)10-7/h1,6-8H,3-5H2/t7?,8-/m1/s1.
What are the key properties of (2R)-5-prop-2-ynyloxolane-2-carbaldehyde?
(2R)-5-prop-2-ynyloxolane-2-carbaldehyde has a molecular weight of 138.17 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-prop-2-ynyloxolane-2-carbaldehyde is sourced from PubChem (CID 175206354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).