6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol

C11H19O4P — CID 12063533

IUPAC6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol
SMILESCCOP(=O)(OCC)C1=C(C)CCC=C1O
InChIInChI=1S/C11H19O4P/c1-4-14-16(13,15-5-2)11-9(3)7-6-8-10(11)12/h8,12H,4-7H2,1-3H3
InChIKeyKOEYEPGGMDPJAV-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.76
Rot. Bonds5

About 6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol

6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol (PubChem CID 12063533) has the molecular formula C11H19O4P and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol
PubChem CID12063533
Molecular FormulaC11H19O4P
Molecular Weight246.24 g/mol
Exact Mass246.10
IUPAC Name6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol
SMILESCCOP(=O)(OCC)C1=C(C)CCC=C1O
InChIInChI=1S/C11H19O4P/c1-4-14-16(13,15-5-2)11-9(3)7-6-8-10(11)12/h8,12H,4-7H2,1-3H3
InChIKeyKOEYEPGGMDPJAV-UHFFFAOYSA-N
XLogP3.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.76
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-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol (CID 12063533) is 6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol is CCOP(=O)(OCC)C1=C(C)CCC=C1O.
What is the InChIKey of 6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is KOEYEPGGMDPJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O4P/c1-4-14-16(13,15-5-2)11-9(3)7-6-8-10(11)12/h8,12H,4-7H2,1-3H3.
What are the key properties of 6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol?
6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 246.24 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 12063533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).