[(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium

C6H12O2P+ — CID 134857996

IUPAC[(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium
SMILESC/C=C(\CCC)[P+](=O)O
InChIInChI=1S/C6H11O2P/c1-3-5-6(4-2)9(7)8/h4H,3,5H2,1-2H3/p+1/b6-4+
InChIKeyWTSPJWSYQHZQLU-GQCTYLIASA-O
MW147.13 g/mol
LogP2.42
Rot. Bonds3

About [(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium

[(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium (PubChem CID 134857996) has the molecular formula C6H12O2P+ and a molecular weight of 147.13 g/mol. Its IUPAC name is [(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium
PubChem CID134857996
Molecular FormulaC6H12O2P+
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name[(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium
SMILESC/C=C(\CCC)[P+](=O)O
InChIInChI=1S/C6H11O2P/c1-3-5-6(4-2)9(7)8/h4H,3,5H2,1-2H3/p+1/b6-4+
InChIKeyWTSPJWSYQHZQLU-GQCTYLIASA-O
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium?
The IUPAC name of [(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium (CID 134857996) is [(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium.
What is the SMILES notation for [(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium?
The canonical SMILES for [(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium is C/C=C(\CCC)[P+](=O)O.
What is the InChIKey of [(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium?
The InChIKey is WTSPJWSYQHZQLU-GQCTYLIASA-O. The full InChI is InChI=1S/C6H11O2P/c1-3-5-6(4-2)9(7)8/h4H,3,5H2,1-2H3/p+1/b6-4+.
What are the key properties of [(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium?
[(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium has a molecular weight of 147.13 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium is sourced from PubChem (CID 134857996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).