cyclohexa-1,5-dien-1-yl dihydrogen phosphite

C6H9O3P — CID 175355044

IUPACcyclohexa-1,5-dien-1-yl dihydrogen phosphite
SMILESOP(O)OC1=CCCC=C1
InChIInChI=1S/C6H9O3P/c7-10(8)9-6-4-2-1-3-5-6/h2,4-5,7-8H,1,3H2
InChIKeyQKHRPHBNRSYBTG-UHFFFAOYSA-N
MW160.11 g/mol
LogP1.45
Rot. Bonds2

About cyclohexa-1,5-dien-1-yl dihydrogen phosphite

cyclohexa-1,5-dien-1-yl dihydrogen phosphite (PubChem CID 175355044) has the molecular formula C6H9O3P and a molecular weight of 160.11 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl dihydrogen phosphite.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yl dihydrogen phosphite
PubChem CID175355044
Molecular FormulaC6H9O3P
Molecular Weight160.11 g/mol
Exact Mass160.03
IUPAC Namecyclohexa-1,5-dien-1-yl dihydrogen phosphite
SMILESOP(O)OC1=CCCC=C1
InChIInChI=1S/C6H9O3P/c7-10(8)9-6-4-2-1-3-5-6/h2,4-5,7-8H,1,3H2
InChIKeyQKHRPHBNRSYBTG-UHFFFAOYSA-N
XLogP1.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.11
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohexa-1,5-dien-1-yl dihydrogen phosphite with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yl dihydrogen phosphite?
The IUPAC name of cyclohexa-1,5-dien-1-yl dihydrogen phosphite (CID 175355044) is cyclohexa-1,5-dien-1-yl dihydrogen phosphite.
What is the SMILES notation for cyclohexa-1,5-dien-1-yl dihydrogen phosphite?
The canonical SMILES for cyclohexa-1,5-dien-1-yl dihydrogen phosphite is OP(O)OC1=CCCC=C1.
What is the InChIKey of cyclohexa-1,5-dien-1-yl dihydrogen phosphite?
The InChIKey is QKHRPHBNRSYBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O3P/c7-10(8)9-6-4-2-1-3-5-6/h2,4-5,7-8H,1,3H2.
What are the key properties of cyclohexa-1,5-dien-1-yl dihydrogen phosphite?
cyclohexa-1,5-dien-1-yl dihydrogen phosphite has a molecular weight of 160.11 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yl dihydrogen phosphite is sourced from PubChem (CID 175355044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).