3,6-dihydro-2H-pyran-4-ylphosphane

C5H9OP — CID 163247007

IUPAC3,6-dihydro-2H-pyran-4-ylphosphane
SMILESPC1=CCOCC1
InChIInChI=1S/C5H9OP/c7-5-1-3-6-4-2-5/h1H,2-4,7H2
InChIKeyYYMIFDKEFZVBIB-UHFFFAOYSA-N
MW116.10 g/mol
LogP1.17
Rot. Bonds

About 3,6-dihydro-2H-pyran-4-ylphosphane

3,6-dihydro-2H-pyran-4-ylphosphane (PubChem CID 163247007) has the molecular formula C5H9OP and a molecular weight of 116.10 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran-4-ylphosphane.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran-4-ylphosphane
PubChem CID163247007
Molecular FormulaC5H9OP
Molecular Weight116.10 g/mol
Exact Mass116.04
IUPAC Name3,6-dihydro-2H-pyran-4-ylphosphane
SMILESPC1=CCOCC1
InChIInChI=1S/C5H9OP/c7-5-1-3-6-4-2-5/h1H,2-4,7H2
InChIKeyYYMIFDKEFZVBIB-UHFFFAOYSA-N
XLogP1.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.10
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,6-dihydro-2H-pyran-4-ylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3,6-dihydro-2H-pyran-4-amine
CID 70244327
4-(3,6-dihydro-2H-pyran-4-yl)benzenethiol
CID 162435420
3,6-dihydro-2H-pyran-4-yl hypoiodite
CID 143890471
4-(methyldisulfanyl)-3,6-dihydro-2H-pyran
CID 123860432
5-bromo-2,3,4,7-tetrahydrooxepine
CID 156706132
4-ethenoxy-3,6-dihydro-2H-pyran
CID 163909673
4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyran
CID 123542016
4-(4-chlorophenyl)-3,6-dihydro-2H-pyran
CID 91180131
N-(3,6-dihydro-2H-pyran-4-yl)acetamide
CID 70641339
2-(3,6-dihydro-2H-pyran-4-yl)ethanamine;hydrochloride
CID 71757140
2-(3,6-dihydro-2H-pyran-4-ylamino)ethanol
CID 91144788
4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyran
CID 166005450

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyran-4-ylphosphane?
The IUPAC name of 3,6-dihydro-2H-pyran-4-ylphosphane (CID 163247007) is 3,6-dihydro-2H-pyran-4-ylphosphane.
What is the SMILES notation for 3,6-dihydro-2H-pyran-4-ylphosphane?
The canonical SMILES for 3,6-dihydro-2H-pyran-4-ylphosphane is PC1=CCOCC1.
What is the InChIKey of 3,6-dihydro-2H-pyran-4-ylphosphane?
The InChIKey is YYMIFDKEFZVBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9OP/c7-5-1-3-6-4-2-5/h1H,2-4,7H2.
What are the key properties of 3,6-dihydro-2H-pyran-4-ylphosphane?
3,6-dihydro-2H-pyran-4-ylphosphane has a molecular weight of 116.10 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyran-4-ylphosphane is sourced from PubChem (CID 163247007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).