2-(3-methylideneoxan-2-yl)acetaldehyde

C8H12O2 — CID 130026303

IUPAC2-(3-methylideneoxan-2-yl)acetaldehyde
SMILESC=C1CCCOC1CC=O
InChIInChI=1S/C8H12O2/c1-7-3-2-6-10-8(7)4-5-9/h5,8H,1-4,6H2
InChIKeyZROBKOFTMMRQLN-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds2

About 2-(3-methylideneoxan-2-yl)acetaldehyde

2-(3-methylideneoxan-2-yl)acetaldehyde (PubChem CID 130026303) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(3-methylideneoxan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-methylideneoxan-2-yl)acetaldehyde
PubChem CID130026303
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(3-methylideneoxan-2-yl)acetaldehyde
SMILESC=C1CCCOC1CC=O
InChIInChI=1S/C8H12O2/c1-7-3-2-6-10-8(7)4-5-9/h5,8H,1-4,6H2
InChIKeyZROBKOFTMMRQLN-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,6S)-6-ethenyl-4-methylideneoxan-2-yl]acetaldehyde
CID 130765397
3-[(2S)-4-methylideneoxolan-2-yl]propanal
CID 117811375
3-(4-Methylideneoxolan-2-yl)propanal
CID 130184212
3-(3-Methylideneoxolan-2-yl)propanal
CID 141425489
2-(6-Pentyloxan-2-yl)prop-2-enal
CID 142330840
CID 173400543
CID 173400543
Methyl 2-(5-methylideneoxan-2-yl)acetate
CID 10397213
2-(Oxan-2-yl)prop-2-enal
CID 14691614
4-(6-Oxooxan-2-yl)pent-4-enal
CID 101404683
2-Deuterio-2-tridec-1-en-2-yloxan-4-one
CID 102165561
2-Tridec-1-en-2-yloxan-4-one
CID 102165563
3-(Oxolan-2-yl)but-3-enal
CID 117268512

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylideneoxan-2-yl)acetaldehyde?
The IUPAC name of 2-(3-methylideneoxan-2-yl)acetaldehyde (CID 130026303) is 2-(3-methylideneoxan-2-yl)acetaldehyde.
What is the SMILES notation for 2-(3-methylideneoxan-2-yl)acetaldehyde?
The canonical SMILES for 2-(3-methylideneoxan-2-yl)acetaldehyde is C=C1CCCOC1CC=O.
What is the InChIKey of 2-(3-methylideneoxan-2-yl)acetaldehyde?
The InChIKey is ZROBKOFTMMRQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7-3-2-6-10-8(7)4-5-9/h5,8H,1-4,6H2.
What are the key properties of 2-(3-methylideneoxan-2-yl)acetaldehyde?
2-(3-methylideneoxan-2-yl)acetaldehyde 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-(3-methylideneoxan-2-yl)acetaldehyde is sourced from PubChem (CID 130026303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).