(3S,4R)-3-ethenyloxane-4-carbaldehyde

C8H12O2 — CID 134944123

IUPAC(3S,4R)-3-ethenyloxane-4-carbaldehyde
SMILESC=C[C@@H]1COCC[C@H]1C=O
InChIInChI=1S/C8H12O2/c1-2-7-6-10-4-3-8(7)5-9/h2,5,7-8H,1,3-4,6H2/t7-,8+/m1/s1
InChIKeyWHJNZOMZXBKVDI-SFYZADRCSA-N
MW140.18 g/mol
LogP1.02
Rot. Bonds2

About (3S,4R)-3-ethenyloxane-4-carbaldehyde

(3S,4R)-3-ethenyloxane-4-carbaldehyde (PubChem CID 134944123) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3S,4R)-3-ethenyloxane-4-carbaldehyde.

Molecular Properties

Compound Name(3S,4R)-3-ethenyloxane-4-carbaldehyde
PubChem CID134944123
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3S,4R)-3-ethenyloxane-4-carbaldehyde
SMILESC=C[C@@H]1COCC[C@H]1C=O
InChIInChI=1S/C8H12O2/c1-2-7-6-10-4-3-8(7)5-9/h2,5,7-8H,1,3-4,6H2/t7-,8+/m1/s1
InChIKeyWHJNZOMZXBKVDI-SFYZADRCSA-N
XLogP1.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.02
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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Related Compounds

4-Ethenyloxane-4-carbaldehyde
CID 139026317
(3R,4R)-3-prop-1-en-2-yloxane-4-carbaldehyde
CID 102109582
2-(Oxetan-3-yl)pent-4-enal
CID 129283493
2-[(4S,5R)-5-ethenyl-2-oxooxan-4-yl]acetaldehyde
CID 11768950
(2R)-2-[(2S)-1-methoxypropan-2-yl]pent-4-enal
CID 101953722
(Z)-4-(oxan-3-yl)but-3-enal
CID 117267525
4-(Prop-2-en-1-yl)oxane-4-carbaldehyde
CID 124251357
4-(But-3-en-2-yl)oxane-4-carbaldehyde
CID 130712443

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-ethenyloxane-4-carbaldehyde?
The IUPAC name of (3S,4R)-3-ethenyloxane-4-carbaldehyde (CID 134944123) is (3S,4R)-3-ethenyloxane-4-carbaldehyde.
What is the SMILES notation for (3S,4R)-3-ethenyloxane-4-carbaldehyde?
The canonical SMILES for (3S,4R)-3-ethenyloxane-4-carbaldehyde is C=C[C@@H]1COCC[C@H]1C=O.
What is the InChIKey of (3S,4R)-3-ethenyloxane-4-carbaldehyde?
The InChIKey is WHJNZOMZXBKVDI-SFYZADRCSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-7-6-10-4-3-8(7)5-9/h2,5,7-8H,1,3-4,6H2/t7-,8+/m1/s1.
What are the key properties of (3S,4R)-3-ethenyloxane-4-carbaldehyde?
(3S,4R)-3-ethenyloxane-4-carbaldehyde has a molecular weight of 140.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-ethenyloxane-4-carbaldehyde is sourced from PubChem (CID 134944123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).