hexa-1,3-diene;2H-oxaphosphinine

C10H15OP — CID 159477750

IUPAChexa-1,3-diene;2H-oxaphosphinine
SMILESC1=COPC=C1.C=CC=CCC
InChIInChI=1S/C6H10.C4H5OP/c1-3-5-6-4-2;1-2-4-6-5-3-1/h3,5-6H,1,4H2,2H3;1-4,6H
InChIKeyLWPKGDZPSWOHBM-UHFFFAOYSA-N
MW182.20 g/mol
LogP3.78
Rot. Bonds2

About hexa-1,3-diene;2H-oxaphosphinine

hexa-1,3-diene;2H-oxaphosphinine (PubChem CID 159477750) has the molecular formula C10H15OP and a molecular weight of 182.20 g/mol. Its IUPAC name is hexa-1,3-diene;2H-oxaphosphinine.

Molecular Properties

Compound Namehexa-1,3-diene;2H-oxaphosphinine
PubChem CID159477750
Molecular FormulaC10H15OP
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Namehexa-1,3-diene;2H-oxaphosphinine
SMILESC1=COPC=C1.C=CC=CCC
InChIInChI=1S/C6H10.C4H5OP/c1-3-5-6-4-2;1-2-4-6-5-3-1/h3,5-6H,1,4H2,2H3;1-4,6H
InChIKeyLWPKGDZPSWOHBM-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[(Z)-prop-1-enyl]-2H-oxaphosphinine
CID 117672568
Cyclopenta-1,3-dien-1-yl(propoxy)phosphane
CID 141820459
3,3-Bis(trimethylgermyl)propoxy-cyclopenta-2,4-dien-1-ylphosphane
CID 159118350

Frequently Asked Questions

What is the IUPAC name of hexa-1,3-diene;2H-oxaphosphinine?
The IUPAC name of hexa-1,3-diene;2H-oxaphosphinine (CID 159477750) is hexa-1,3-diene;2H-oxaphosphinine.
What is the SMILES notation for hexa-1,3-diene;2H-oxaphosphinine?
The canonical SMILES for hexa-1,3-diene;2H-oxaphosphinine is C1=COPC=C1.C=CC=CCC.
What is the InChIKey of hexa-1,3-diene;2H-oxaphosphinine?
The InChIKey is LWPKGDZPSWOHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C4H5OP/c1-3-5-6-4-2;1-2-4-6-5-3-1/h3,5-6H,1,4H2,2H3;1-4,6H.
What are the key properties of hexa-1,3-diene;2H-oxaphosphinine?
hexa-1,3-diene;2H-oxaphosphinine has a molecular weight of 182.20 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,3-diene;2H-oxaphosphinine is sourced from PubChem (CID 159477750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).