6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium

C10H18O2P+ — CID 176901757

IUPAC6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium
SMILESO=[P+](O)CCCCCCC1=CCC1
InChIInChI=1S/C10H17O2P/c11-13(12)9-4-2-1-3-6-10-7-5-8-10/h7H,1-6,8-9H2/p+1
InChIKeyMDXDHGKCBXBFAB-UHFFFAOYSA-O
MW201.23 g/mol
LogP3.39
Rot. Bonds7

About 6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium

6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium (PubChem CID 176901757) has the molecular formula C10H18O2P+ and a molecular weight of 201.23 g/mol. Its IUPAC name is 6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium
PubChem CID176901757
Molecular FormulaC10H18O2P+
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium
SMILESO=[P+](O)CCCCCCC1=CCC1
InChIInChI=1S/C10H17O2P/c11-13(12)9-4-2-1-3-6-10-7-5-8-10/h7H,1-6,8-9H2/p+1
InChIKeyMDXDHGKCBXBFAB-UHFFFAOYSA-O
XLogP3.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium?
The IUPAC name of 6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium (CID 176901757) is 6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium.
What is the SMILES notation for 6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium?
The canonical SMILES for 6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium is O=[P+](O)CCCCCCC1=CCC1.
What is the InChIKey of 6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium?
The InChIKey is MDXDHGKCBXBFAB-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17O2P/c11-13(12)9-4-2-1-3-6-10-7-5-8-10/h7H,1-6,8-9H2/p+1.
What are the key properties of 6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium?
6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium has a molecular weight of 201.23 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclobuten-1-yl)hexyl-hydroxy-oxophosphanium is sourced from PubChem (CID 176901757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).