2-but-2-enyloxolane-2-carbaldehyde

C9H14O2 — CID 87582773

IUPAC2-but-2-enyloxolane-2-carbaldehyde
SMILESCC=CCC1(C=O)CCCO1
InChIInChI=1S/C9H14O2/c1-2-3-5-9(8-10)6-4-7-11-9/h2-3,8H,4-7H2,1H3
InChIKeyRMKJZHFFYVQMDZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds3

About 2-but-2-enyloxolane-2-carbaldehyde

2-but-2-enyloxolane-2-carbaldehyde (PubChem CID 87582773) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-but-2-enyloxolane-2-carbaldehyde.

Molecular Properties

Compound Name2-but-2-enyloxolane-2-carbaldehyde
PubChem CID87582773
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-but-2-enyloxolane-2-carbaldehyde
SMILESCC=CCC1(C=O)CCCO1
InChIInChI=1S/C9H14O2/c1-2-3-5-9(8-10)6-4-7-11-9/h2-3,8H,4-7H2,1H3
InChIKeyRMKJZHFFYVQMDZ-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of 2-but-2-enyloxolane-2-carbaldehyde?
The IUPAC name of 2-but-2-enyloxolane-2-carbaldehyde (CID 87582773) is 2-but-2-enyloxolane-2-carbaldehyde.
What is the SMILES notation for 2-but-2-enyloxolane-2-carbaldehyde?
The canonical SMILES for 2-but-2-enyloxolane-2-carbaldehyde is CC=CCC1(C=O)CCCO1.
What is the InChIKey of 2-but-2-enyloxolane-2-carbaldehyde?
The InChIKey is RMKJZHFFYVQMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-5-9(8-10)6-4-7-11-9/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-but-2-enyloxolane-2-carbaldehyde?
2-but-2-enyloxolane-2-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enyloxolane-2-carbaldehyde is sourced from PubChem (CID 87582773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).