2-(oxolan-2-yl)butanal

C8H14O2 — CID 84716261

IUPAC2-(oxolan-2-yl)butanal
SMILESCCC(C=O)C1CCCO1
InChIInChI=1S/C8H14O2/c1-2-7(6-9)8-4-3-5-10-8/h6-8H,2-5H2,1H3
InChIKeyCBHUCYIBDKZHGB-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds3

About 2-(oxolan-2-yl)butanal

2-(oxolan-2-yl)butanal (PubChem CID 84716261) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(oxolan-2-yl)butanal.

Molecular Properties

Compound Name2-(oxolan-2-yl)butanal
PubChem CID84716261
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(oxolan-2-yl)butanal
SMILESCCC(C=O)C1CCCO1
InChIInChI=1S/C8H14O2/c1-2-7(6-9)8-4-3-5-10-8/h6-8H,2-5H2,1H3
InChIKeyCBHUCYIBDKZHGB-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(oxolan-2-yl)ethanol;propanal
CID 174771711
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
(2S)-2-cyclohexylbutanal
CID 88959248
3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal
CID 174771936
1-[(2S)-oxolan-2-yl]ethyl formate
CID 174825731
N-[1-(oxolan-2-yl)propyl]acetamide
CID 130615261
(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 142398679
1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 156747479
2-(1-fluoropropyl)oxane
CID 67686037
[ethoxy(oxolan-2-yl)methyl] prop-2-enoate
CID 175540639
1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 129433389

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)butanal?
The IUPAC name of 2-(oxolan-2-yl)butanal (CID 84716261) is 2-(oxolan-2-yl)butanal.
What is the SMILES notation for 2-(oxolan-2-yl)butanal?
The canonical SMILES for 2-(oxolan-2-yl)butanal is CCC(C=O)C1CCCO1.
What is the InChIKey of 2-(oxolan-2-yl)butanal?
The InChIKey is CBHUCYIBDKZHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-7(6-9)8-4-3-5-10-8/h6-8H,2-5H2,1H3.
What are the key properties of 2-(oxolan-2-yl)butanal?
2-(oxolan-2-yl)butanal has a molecular weight of 142.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)butanal is sourced from PubChem (CID 84716261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).