cyclopenta-1,3-diene;ethane;ethoxyphosphane

C9H19OP — CID 91217113

IUPACcyclopenta-1,3-diene;ethane;ethoxyphosphane
SMILESC1=CCC=C1.CC.CCOP
InChIInChI=1S/C5H6.C2H7OP.C2H6/c1-2-4-5-3-1;1-2-3-4;1-2/h1-4H,5H2;2,4H2,1H3;1-2H3
InChIKeySACVRWTVDWFDSN-UHFFFAOYSA-N
MW174.22 g/mol
LogP3.34
Rot. Bonds1

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

cyclopenta-1,3-diene;ethane;ethoxyphosphane (PubChem CID 91217113) has the molecular formula C9H19OP and a molecular weight of 174.22 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;ethoxyphosphane.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethane;ethoxyphosphane
PubChem CID91217113
Molecular FormulaC9H19OP
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Namecyclopenta-1,3-diene;ethane;ethoxyphosphane
SMILESC1=CCC=C1.CC.CCOP
InChIInChI=1S/C5H6.C2H7OP.C2H6/c1-2-4-5-3-1;1-2-3-4;1-2/h1-4H,5H2;2,4H2,1H3;1-2H3
InChIKeySACVRWTVDWFDSN-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclopenta-1,3-diene;1-methoxypropane
CID 139240241
Carbanide;cyclopenta-1,3-diene;ethanolate;hafnium(4+)
CID 87201587
Carbanide;cyclopenta-1,3-diene;ethanolate;zirconium(4+)
CID 87201590
Cyclopenta-1,3-diene;ethoxyphosphane;isocyanomethane
CID 91117857
Acetaldehyde;cyclopenta-1,3-diene;ethoxyphosphane
CID 91293904
[(3E)-hexa-3,5-dienoxy]phosphane
CID 124143348
Cyclopenta-1,3-dien-1-yl(propoxy)phosphane
CID 141820459
3,3-Bis(trimethylgermyl)propoxy-cyclopenta-2,4-dien-1-ylphosphane
CID 159118350
[(5Z,7Z)-nona-5,7-dienoxy]phosphane
CID 167297707

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethane;ethoxyphosphane?
The IUPAC name of cyclopenta-1,3-diene;ethane;ethoxyphosphane (CID 91217113) is cyclopenta-1,3-diene;ethane;ethoxyphosphane.
What is the SMILES notation for cyclopenta-1,3-diene;ethane;ethoxyphosphane?
The canonical SMILES for cyclopenta-1,3-diene;ethane;ethoxyphosphane is C1=CCC=C1.CC.CCOP.
What is the InChIKey of cyclopenta-1,3-diene;ethane;ethoxyphosphane?
The InChIKey is SACVRWTVDWFDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.C2H7OP.C2H6/c1-2-4-5-3-1;1-2-3-4;1-2/h1-4H,5H2;2,4H2,1H3;1-2H3.
What are the key properties of cyclopenta-1,3-diene;ethane;ethoxyphosphane?
cyclopenta-1,3-diene;ethane;ethoxyphosphane has a molecular weight of 174.22 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethane;ethoxyphosphane is sourced from PubChem (CID 91217113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).