phosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene

C11H23O4P — CID 175085707

IUPACphosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene
SMILESCC(C)(C)C=C=CC(C)(C)C.O=P(O)(O)O
InChIInChI=1S/C11H20.H3O4P/c1-10(2,3)8-7-9-11(4,5)6;1-5(2,3)4/h8-9H,1-6H3;(H3,1,2,3,4)
InChIKeyMRUZQRKSKKGYJU-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.86
Rot. Bonds

About phosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene

phosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene (PubChem CID 175085707) has the molecular formula C11H23O4P and a molecular weight of 250.27 g/mol. Its IUPAC name is phosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene.

Molecular Properties

Compound Namephosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene
PubChem CID175085707
Molecular FormulaC11H23O4P
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Namephosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene
SMILESCC(C)(C)C=C=CC(C)(C)C.O=P(O)(O)O
InChIInChI=1S/C11H20.H3O4P/c1-10(2,3)8-7-9-11(4,5)6;1-5(2,3)4/h8-9H,1-6H3;(H3,1,2,3,4)
InChIKeyMRUZQRKSKKGYJU-UHFFFAOYSA-N
XLogP2.86
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene?
The IUPAC name of phosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene (CID 175085707) is phosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene.
What is the SMILES notation for phosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene?
The canonical SMILES for phosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene is CC(C)(C)C=C=CC(C)(C)C.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene?
The InChIKey is MRUZQRKSKKGYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.H3O4P/c1-10(2,3)8-7-9-11(4,5)6;1-5(2,3)4/h8-9H,1-6H3;(H3,1,2,3,4).
What are the key properties of phosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene?
phosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene has a molecular weight of 250.27 g/mol, XLogP of 2.86, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;2,2,6,6-tetramethylhepta-3,4-diene is sourced from PubChem (CID 175085707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).