2-(oxan-2-yl)prop-2-enal

C8H12O2 — CID 14691614

IUPAC2-(oxan-2-yl)prop-2-enal
SMILESC=C(C=O)C1CCCCO1
InChIInChI=1S/C8H12O2/c1-7(6-9)8-4-2-3-5-10-8/h6,8H,1-5H2
InChIKeyOGJWWNUMOHIKCN-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds2

About 2-(oxan-2-yl)prop-2-enal

2-(oxan-2-yl)prop-2-enal (PubChem CID 14691614) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(oxan-2-yl)prop-2-enal.

Molecular Properties

Compound Name2-(oxan-2-yl)prop-2-enal
PubChem CID14691614
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(oxan-2-yl)prop-2-enal
SMILESC=C(C=O)C1CCCCO1
InChIInChI=1S/C8H12O2/c1-7(6-9)8-4-2-3-5-10-8/h6,8H,1-5H2
InChIKeyOGJWWNUMOHIKCN-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-Methylideneoxan-2-yl)acetaldehyde
CID 130026303
2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde
CID 130765397
Methyl 2-(oxan-2-yl)prop-2-enoate
CID 89810885
2-(6-Pentyloxan-2-yl)prop-2-enal
CID 142330840
CID 173400543
CID 173400543
2-[(5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal
CID 10527015
2-[(2R,5Z)-5-[(4E,8E,12E)-4,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenylidene]oxan-2-yl]prop-2-enal
CID 11328091
2-Formylnon-1-en-3-yl acetate
CID 85972367
2-(Oxolan-2-yl)prop-2-enal
CID 117266775
2-(Oxan-2-ylmethyl)prop-2-enal
CID 117266795
3-(Oxan-2-yl)but-3-enal
CID 117268568
2-[(2R,5Z)-5-ethylideneoxan-2-yl]prop-2-enal
CID 133683292

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)prop-2-enal?
The IUPAC name of 2-(oxan-2-yl)prop-2-enal (CID 14691614) is 2-(oxan-2-yl)prop-2-enal.
What is the SMILES notation for 2-(oxan-2-yl)prop-2-enal?
The canonical SMILES for 2-(oxan-2-yl)prop-2-enal is C=C(C=O)C1CCCCO1.
What is the InChIKey of 2-(oxan-2-yl)prop-2-enal?
The InChIKey is OGJWWNUMOHIKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7(6-9)8-4-2-3-5-10-8/h6,8H,1-5H2.
What are the key properties of 2-(oxan-2-yl)prop-2-enal?
2-(oxan-2-yl)prop-2-enal has a molecular weight of 140.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)prop-2-enal is sourced from PubChem (CID 14691614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).