hydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium

C11H20O3P+ — CID 68830446

IUPAChydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium
SMILESCCCC(CC)(C1=CCC(O)C1)[P+](=O)O
InChIInChI=1S/C11H19O3P/c1-3-7-11(4-2,15(13)14)9-5-6-10(12)8-9/h5,10,12H,3-4,6-8H2,1-2H3/p+1
InChIKeyLAEZTGMQMBKFIE-UHFFFAOYSA-O
MW231.25 g/mol
LogP2.75
Rot. Bonds5

About hydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium

hydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium (PubChem CID 68830446) has the molecular formula C11H20O3P+ and a molecular weight of 231.25 g/mol. Its IUPAC name is hydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium
PubChem CID68830446
Molecular FormulaC11H20O3P+
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namehydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium
SMILESCCCC(CC)(C1=CCC(O)C1)[P+](=O)O
InChIInChI=1S/C11H19O3P/c1-3-7-11(4-2,15(13)14)9-5-6-10(12)8-9/h5,10,12H,3-4,6-8H2,1-2H3/p+1
InChIKeyLAEZTGMQMBKFIE-UHFFFAOYSA-O
XLogP2.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium?
The IUPAC name of hydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium (CID 68830446) is hydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium.
What is the SMILES notation for hydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium?
The canonical SMILES for hydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium is CCCC(CC)(C1=CCC(O)C1)[P+](=O)O.
What is the InChIKey of hydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium?
The InChIKey is LAEZTGMQMBKFIE-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H19O3P/c1-3-7-11(4-2,15(13)14)9-5-6-10(12)8-9/h5,10,12H,3-4,6-8H2,1-2H3/p+1.
What are the key properties of hydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium?
hydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium has a molecular weight of 231.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-(4-hydroxycyclopenten-1-yl)hexan-3-yl]-oxophosphanium is sourced from PubChem (CID 68830446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).