hydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium

C9H18O3P+ — CID 88980248

IUPAChydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium
SMILESCC(C)=CC(O[P+](=O)O)C(C)(C)C
InChIInChI=1S/C9H17O3P/c1-7(2)6-8(9(3,4)5)12-13(10)11/h6,8H,1-5H3/p+1
InChIKeyMNEIEULRVPUMLA-UHFFFAOYSA-O
MW205.21 g/mol
LogP3.03
Rot. Bonds3

About hydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium

hydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium (PubChem CID 88980248) has the molecular formula C9H18O3P+ and a molecular weight of 205.21 g/mol. Its IUPAC name is hydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium
PubChem CID88980248
Molecular FormulaC9H18O3P+
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Namehydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium
SMILESCC(C)=CC(O[P+](=O)O)C(C)(C)C
InChIInChI=1S/C9H17O3P/c1-7(2)6-8(9(3,4)5)12-13(10)11/h6,8H,1-5H3/p+1
InChIKeyMNEIEULRVPUMLA-UHFFFAOYSA-O
XLogP3.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
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-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium?
The IUPAC name of hydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium (CID 88980248) is hydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium is CC(C)=CC(O[P+](=O)O)C(C)(C)C.
What is the InChIKey of hydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium?
The InChIKey is MNEIEULRVPUMLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17O3P/c1-7(2)6-8(9(3,4)5)12-13(10)11/h6,8H,1-5H3/p+1.
What are the key properties of hydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium?
hydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium has a molecular weight of 205.21 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(2,2,5-trimethylhex-4-en-3-yloxy)phosphanium is sourced from PubChem (CID 88980248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).