[(E)-hex-3-en-3-yl]phosphonous acid

C6H13O2P — CID 134306641

IUPAC[(E)-hex-3-en-3-yl]phosphonous acid
SMILESCC/C=C(\CC)P(O)O
InChIInChI=1S/C6H13O2P/c1-3-5-6(4-2)9(7)8/h5,7-8H,3-4H2,1-2H3/b6-5+
InChIKeyDVFKFDXXMWDRBB-AATRIKPKSA-N
MW148.14 g/mol
LogP1.99
Rot. Bonds3

About [(E)-hex-3-en-3-yl]phosphonous acid

[(E)-hex-3-en-3-yl]phosphonous acid (PubChem CID 134306641) has the molecular formula C6H13O2P and a molecular weight of 148.14 g/mol. Its IUPAC name is [(E)-hex-3-en-3-yl]phosphonous acid.

Molecular Properties

Compound Name[(E)-hex-3-en-3-yl]phosphonous acid
PubChem CID134306641
Molecular FormulaC6H13O2P
Molecular Weight148.14 g/mol
Exact Mass148.07
IUPAC Name[(E)-hex-3-en-3-yl]phosphonous acid
SMILESCC/C=C(\CC)P(O)O
InChIInChI=1S/C6H13O2P/c1-3-5-6(4-2)9(7)8/h5,7-8H,3-4H2,1-2H3/b6-5+
InChIKeyDVFKFDXXMWDRBB-AATRIKPKSA-N
XLogP1.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-3-en-3-yl]phosphonous acid?
The IUPAC name of [(E)-hex-3-en-3-yl]phosphonous acid (CID 134306641) is [(E)-hex-3-en-3-yl]phosphonous acid.
What is the SMILES notation for [(E)-hex-3-en-3-yl]phosphonous acid?
The canonical SMILES for [(E)-hex-3-en-3-yl]phosphonous acid is CC/C=C(\CC)P(O)O.
What is the InChIKey of [(E)-hex-3-en-3-yl]phosphonous acid?
The InChIKey is DVFKFDXXMWDRBB-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13O2P/c1-3-5-6(4-2)9(7)8/h5,7-8H,3-4H2,1-2H3/b6-5+.
What are the key properties of [(E)-hex-3-en-3-yl]phosphonous acid?
[(E)-hex-3-en-3-yl]phosphonous acid has a molecular weight of 148.14 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-3-en-3-yl]phosphonous acid is sourced from PubChem (CID 134306641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).