hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium

C7H16O3P+ — CID 137377585

IUPAChydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium
SMILESCCCCC(CO)C[P+](=O)O
InChIInChI=1S/C7H15O3P/c1-2-3-4-7(5-8)6-11(9)10/h7-8H,2-6H2,1H3/p+1
InChIKeyRMCLVKIITLYQLK-UHFFFAOYSA-O
MW179.18 g/mol
LogP1.52
Rot. Bonds6

About hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium

hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium (PubChem CID 137377585) has the molecular formula C7H16O3P+ and a molecular weight of 179.18 g/mol. Its IUPAC name is hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium
PubChem CID137377585
Molecular FormulaC7H16O3P+
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Namehydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium
SMILESCCCCC(CO)C[P+](=O)O
InChIInChI=1S/C7H15O3P/c1-2-3-4-7(5-8)6-11(9)10/h7-8H,2-6H2,1H3/p+1
InChIKeyRMCLVKIITLYQLK-UHFFFAOYSA-O
XLogP1.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexyl-hydroxy-oxophosphanium
CID 22002161
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
2-ethylhexan-1-ol;hydron
CID 175010288
2-butyloctan-1-ol;2-undecylpentadecan-1-ol
CID 160770857
2-ethylhexan-1-ol;iron
CID 22477032
sodium;2-ethylhexan-1-ol;sulfate
CID 20976016
2-ethylhexan-1-ol;zirconium;trihydrochloride
CID 173397810
CID 159249113
CID 159249113
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768

Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium?
The IUPAC name of hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium (CID 137377585) is hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium?
The canonical SMILES for hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium is CCCCC(CO)C[P+](=O)O.
What is the InChIKey of hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium?
The InChIKey is RMCLVKIITLYQLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15O3P/c1-2-3-4-7(5-8)6-11(9)10/h7-8H,2-6H2,1H3/p+1.
What are the key properties of hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium?
hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium has a molecular weight of 179.18 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium is sourced from PubChem (CID 137377585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).