(6R)-6-[(E)-prop-1-enyl]oxan-2-one

C8H12O2 — CID 134870379

IUPAC(6R)-6-[(E)-prop-1-enyl]oxan-2-one
SMILESC/C=C/[C@H]1CCCC(=O)O1
InChIInChI=1S/C8H12O2/c1-2-4-7-5-3-6-8(9)10-7/h2,4,7H,3,5-6H2,1H3/b4-2+/t7-/m0/s1
InChIKeyCPUQENQKOYSPEV-XBBYQOBLSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds1

About (6R)-6-[(E)-prop-1-enyl]oxan-2-one

(6R)-6-[(E)-prop-1-enyl]oxan-2-one (PubChem CID 134870379) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (6R)-6-[(E)-prop-1-enyl]oxan-2-one.

Molecular Properties

Compound Name(6R)-6-[(E)-prop-1-enyl]oxan-2-one
PubChem CID134870379
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(6R)-6-[(E)-prop-1-enyl]oxan-2-one
SMILESC/C=C/[C@H]1CCCC(=O)O1
InChIInChI=1S/C8H12O2/c1-2-4-7-5-3-6-8(9)10-7/h2,4,7H,3,5-6H2,1H3/b4-2+/t7-/m0/s1
InChIKeyCPUQENQKOYSPEV-XBBYQOBLSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(E)-prop-1-enyl]oxan-2-one?
The IUPAC name of (6R)-6-[(E)-prop-1-enyl]oxan-2-one (CID 134870379) is (6R)-6-[(E)-prop-1-enyl]oxan-2-one.
What is the SMILES notation for (6R)-6-[(E)-prop-1-enyl]oxan-2-one?
The canonical SMILES for (6R)-6-[(E)-prop-1-enyl]oxan-2-one is C/C=C/[C@H]1CCCC(=O)O1.
What is the InChIKey of (6R)-6-[(E)-prop-1-enyl]oxan-2-one?
The InChIKey is CPUQENQKOYSPEV-XBBYQOBLSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-4-7-5-3-6-8(9)10-7/h2,4,7H,3,5-6H2,1H3/b4-2+/t7-/m0/s1.
What are the key properties of (6R)-6-[(E)-prop-1-enyl]oxan-2-one?
(6R)-6-[(E)-prop-1-enyl]oxan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(E)-prop-1-enyl]oxan-2-one is sourced from PubChem (CID 134870379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).