6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol

C10H17O4P — CID 12063529

IUPAC6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol
SMILESCCOP(=O)(OCC)C1=CCCC=C1O
InChIInChI=1S/C10H17O4P/c1-3-13-15(12,14-4-2)10-8-6-5-7-9(10)11/h7-8,11H,3-6H2,1-2H3
InChIKeyWCZYPDVKJWOXBH-UHFFFAOYSA-N
MW232.22 g/mol
LogP3.37
Rot. Bonds5

About 6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol

6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol (PubChem CID 12063529) has the molecular formula C10H17O4P and a molecular weight of 232.22 g/mol. Its IUPAC name is 6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol
PubChem CID12063529
Molecular FormulaC10H17O4P
Molecular Weight232.22 g/mol
Exact Mass232.09
IUPAC Name6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol
SMILESCCOP(=O)(OCC)C1=CCCC=C1O
InChIInChI=1S/C10H17O4P/c1-3-13-15(12,14-4-2)10-8-6-5-7-9(10)11/h7-8,11H,3-6H2,1-2H3
InChIKeyWCZYPDVKJWOXBH-UHFFFAOYSA-N
XLogP3.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol (CID 12063529) is 6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol is CCOP(=O)(OCC)C1=CCCC=C1O.
What is the InChIKey of 6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol?
The InChIKey is WCZYPDVKJWOXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O4P/c1-3-13-15(12,14-4-2)10-8-6-5-7-9(10)11/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol?
6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol has a molecular weight of 232.22 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diethoxyphosphorylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 12063529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).