3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid

C8H24O11P2 — CID 88592988

IUPAC3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid
SMILESCC(C)(O)C(C)(C)OCCO.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C8H18O3.2H3O4P/c1-7(2,10)8(3,4)11-6-5-9;2*1-5(2,3)4/h9-10H,5-6H2,1-4H3;2*(H3,1,2,3,4)
InChIKeySLHHBSRNTCHNKB-UHFFFAOYSA-N
MW358.22 g/mol
LogP-1.31
Rot. Bonds4

About 3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid

3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid (PubChem CID 88592988) has the molecular formula C8H24O11P2 and a molecular weight of 358.22 g/mol. Its IUPAC name is 3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid.

Molecular Properties

Compound Name3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid
PubChem CID88592988
Molecular FormulaC8H24O11P2
Molecular Weight358.22 g/mol
Exact Mass358.08
IUPAC Name3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid
SMILESCC(C)(O)C(C)(C)OCCO.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C8H18O3.2H3O4P/c1-7(2,10)8(3,4)11-6-5-9;2*1-5(2,3)4/h9-10H,5-6H2,1-4H3;2*(H3,1,2,3,4)
InChIKeySLHHBSRNTCHNKB-UHFFFAOYSA-N
XLogP-1.31
TPSA205.21 Ų
H-Bond Donors8
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.22
LogP ≤ 5-1.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid?
The IUPAC name of 3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid (CID 88592988) is 3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid.
What is the SMILES notation for 3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid?
The canonical SMILES for 3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid is CC(C)(O)C(C)(C)OCCO.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of 3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid?
The InChIKey is SLHHBSRNTCHNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.2H3O4P/c1-7(2,10)8(3,4)11-6-5-9;2*1-5(2,3)4/h9-10H,5-6H2,1-4H3;2*(H3,1,2,3,4).
What are the key properties of 3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid?
3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid has a molecular weight of 358.22 g/mol, XLogP of -1.31, 4 rotatable bonds, 8 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-ol;phosphoric acid is sourced from PubChem (CID 88592988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).