acetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane

C9H17O2P — CID 91293904

IUPACacetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane
SMILESC1=CCC=C1.CC=O.CCOP
InChIInChI=1S/C5H6.C2H7OP.C2H4O/c1-2-4-5-3-1;1-2-3-4;1-2-3/h1-4H,5H2;2,4H2,1H3;2H,1H3
InChIKeyQTWZCJBQNBBRAD-UHFFFAOYSA-N
MW188.21 g/mol
LogP2.52
Rot. Bonds1

About acetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane

acetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane (PubChem CID 91293904) has the molecular formula C9H17O2P and a molecular weight of 188.21 g/mol. Its IUPAC name is acetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane.

Molecular Properties

Compound Nameacetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane
PubChem CID91293904
Molecular FormulaC9H17O2P
Molecular Weight188.21 g/mol
Exact Mass188.10
IUPAC Nameacetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane
SMILESC1=CCC=C1.CC=O.CCOP
InChIInChI=1S/C5H6.C2H7OP.C2H4O/c1-2-4-5-3-1;1-2-3-4;1-2-3/h1-4H,5H2;2,4H2,1H3;2H,1H3
InChIKeyQTWZCJBQNBBRAD-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclopenta-1,3-diene;ethane;ethoxyphosphane
CID 91217113
Acetaldehyde;cyclopenta-1,3-diene;ethane
CID 91335250

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane?
The IUPAC name of acetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane (CID 91293904) is acetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane.
What is the SMILES notation for acetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane?
The canonical SMILES for acetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane is C1=CCC=C1.CC=O.CCOP.
What is the InChIKey of acetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane?
The InChIKey is QTWZCJBQNBBRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.C2H7OP.C2H4O/c1-2-4-5-3-1;1-2-3-4;1-2-3/h1-4H,5H2;2,4H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane?
acetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane has a molecular weight of 188.21 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane is sourced from PubChem (CID 91293904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).