6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol

C12H21O4P — CID 11350093

IUPAC6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol
SMILESCCOP(=O)(OCC)C1=CC(C)(C)CC=C1O
InChIInChI=1S/C12H21O4P/c1-5-15-17(14,16-6-2)11-9-12(3,4)8-7-10(11)13/h7,9,13H,5-6,8H2,1-4H3
InChIKeyCHYMAQQPQAPFPN-UHFFFAOYSA-N
MW260.27 g/mol
LogP4.01
Rot. Bonds5

About 6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol

6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol (PubChem CID 11350093) has the molecular formula C12H21O4P and a molecular weight of 260.27 g/mol. Its IUPAC name is 6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol
PubChem CID11350093
Molecular FormulaC12H21O4P
Molecular Weight260.27 g/mol
Exact Mass260.12
IUPAC Name6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol
SMILESCCOP(=O)(OCC)C1=CC(C)(C)CC=C1O
InChIInChI=1S/C12H21O4P/c1-5-15-17(14,16-6-2)11-9-12(3,4)8-7-10(11)13/h7,9,13H,5-6,8H2,1-4H3
InChIKeyCHYMAQQPQAPFPN-UHFFFAOYSA-N
XLogP4.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-Dimethoxyphosphoryl-6,6-dimethylcyclohexa-2,4-dien-1-yl) ethyl hydrogen phosphate
CID 88741502
6-(Diethoxyphosphorylmethyl)-6-methylcyclohexa-2,4-dien-1-ol
CID 152759819
(4-Tert-butyl-3-hydroxy-2-methylcyclopenta-2,4-dien-1-yl)methyl-methoxyphosphinate
CID 163436604
Carbon monoxide;(4,4-dimethylcyclohexa-1,5-dien-1-yl) diethyl phosphate;iron
CID 11315546
(4,4-Dimethylcyclohexa-1,5-dien-1-yl) diethyl phosphate
CID 11315547
Carbon monoxide;6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol;iron
CID 11350092
6-Di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol
CID 12063514
(4,4-Dimethylcyclohexa-1,5-dien-1-yl) dipropan-2-yl phosphate
CID 12063519
6-Diethoxyphosphorylcyclohexa-1,5-dien-1-ol
CID 12063529
6-Diethoxyphosphoryl-5-methylcyclohexa-1,5-dien-1-ol
CID 12063533
6-Diethoxyphosphoryl-3,5-dimethylcyclohexa-1,5-dien-1-ol
CID 12063537
6-Diethoxyphosphoryl-3,3,5-trimethylcyclohexa-1,5-dien-1-ol
CID 12063541

Frequently Asked Questions

What is the IUPAC name of 6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol (CID 11350093) is 6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol is CCOP(=O)(OCC)C1=CC(C)(C)CC=C1O.
What is the InChIKey of 6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol?
The InChIKey is CHYMAQQPQAPFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O4P/c1-5-15-17(14,16-6-2)11-9-12(3,4)8-7-10(11)13/h7,9,13H,5-6,8H2,1-4H3.
What are the key properties of 6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol?
6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol has a molecular weight of 260.27 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diethoxyphosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 11350093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).