1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide

C8H20BrO4P — CID 173367019

IUPAC1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide
SMILESBr.CCCCCCC(O)(O)C(O)(O)P
InChIInChI=1S/C8H19O4P.BrH/c1-2-3-4-5-6-7(9,10)8(11,12)13;/h9-12H,2-6,13H2,1H3;1H
InChIKeyQLLPOYWYNOLKSQ-UHFFFAOYSA-N
MW291.12 g/mol
LogP0.73
Rot. Bonds6

About 1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide

1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide (PubChem CID 173367019) has the molecular formula C8H20BrO4P and a molecular weight of 291.12 g/mol. Its IUPAC name is 1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide.

Molecular Properties

Compound Name1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide
PubChem CID173367019
Molecular FormulaC8H20BrO4P
Molecular Weight291.12 g/mol
Exact Mass290.03
IUPAC Name1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide
SMILESBr.CCCCCCC(O)(O)C(O)(O)P
InChIInChI=1S/C8H19O4P.BrH/c1-2-3-4-5-6-7(9,10)8(11,12)13;/h9-12H,2-6,13H2,1H3;1H
InChIKeyQLLPOYWYNOLKSQ-UHFFFAOYSA-N
XLogP0.73
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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decane-2,2,3,3-tetrol
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7-hexyltridecan-7-ylphosphane;hydrobromide
CID 173158553
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CID 141445276
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CID 141107070
1,1,1-trichlorononane
CID 6420387
12-undecyltricosan-12-ylphosphane
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7-hexylhexadecan-7-ol
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Frequently Asked Questions

What is the IUPAC name of 1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide?
The IUPAC name of 1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide (CID 173367019) is 1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide.
What is the SMILES notation for 1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide?
The canonical SMILES for 1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide is Br.CCCCCCC(O)(O)C(O)(O)P.
What is the InChIKey of 1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide?
The InChIKey is QLLPOYWYNOLKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P.BrH/c1-2-3-4-5-6-7(9,10)8(11,12)13;/h9-12H,2-6,13H2,1H3;1H.
What are the key properties of 1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide?
1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide has a molecular weight of 291.12 g/mol, XLogP of 0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanyloctane-1,1,2,2-tetrol;hydrobromide is sourced from PubChem (CID 173367019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).