6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol

C14H25O4P — CID 12063514

IUPAC6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol
SMILESCC(C)OP(=O)(OC(C)C)C1=CC(C)(C)CC=C1O
InChIInChI=1S/C14H25O4P/c1-10(2)17-19(16,18-11(3)4)13-9-14(5,6)8-7-12(13)15/h7,9-11,15H,8H2,1-6H3
InChIKeySNVVFLKELWTCPL-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.79
Rot. Bonds5

About 6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol

6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol (PubChem CID 12063514) has the molecular formula C14H25O4P and a molecular weight of 288.32 g/mol. Its IUPAC name is 6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol
PubChem CID12063514
Molecular FormulaC14H25O4P
Molecular Weight288.32 g/mol
Exact Mass288.15
IUPAC Name6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol
SMILESCC(C)OP(=O)(OC(C)C)C1=CC(C)(C)CC=C1O
InChIInChI=1S/C14H25O4P/c1-10(2)17-19(16,18-11(3)4)13-9-14(5,6)8-7-12(13)15/h7,9-11,15H,8H2,1-6H3
InChIKeySNVVFLKELWTCPL-UHFFFAOYSA-N
XLogP4.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.79
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-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol (CID 12063514) is 6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol is CC(C)OP(=O)(OC(C)C)C1=CC(C)(C)CC=C1O.
What is the InChIKey of 6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol?
The InChIKey is SNVVFLKELWTCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25O4P/c1-10(2)17-19(16,18-11(3)4)13-9-14(5,6)8-7-12(13)15/h7,9-11,15H,8H2,1-6H3.
What are the key properties of 6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol?
6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol has a molecular weight of 288.32 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-di(propan-2-yloxy)phosphoryl-4,4-dimethylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 12063514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).