[(E)-oct-4-enyl]phosphonic acid

C8H17O3P — CID 22971762

IUPAC[(E)-oct-4-enyl]phosphonic acid
SMILESCCC/C=C/CCCP(=O)(O)O
InChIInChI=1S/C8H17O3P/c1-2-3-4-5-6-7-8-12(9,10)11/h4-5H,2-3,6-8H2,1H3,(H2,9,10,11)/b5-4+
InChIKeyLEQSHAQESYAISU-SNAWJCMRSA-N
MW192.19 g/mol
LogP2.30
Rot. Bonds6

About [(E)-oct-4-enyl]phosphonic acid

[(E)-oct-4-enyl]phosphonic acid (PubChem CID 22971762) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is [(E)-oct-4-enyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-oct-4-enyl]phosphonic acid
PubChem CID22971762
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name[(E)-oct-4-enyl]phosphonic acid
SMILESCCC/C=C/CCCP(=O)(O)O
InChIInChI=1S/C8H17O3P/c1-2-3-4-5-6-7-8-12(9,10)11/h4-5H,2-3,6-8H2,1H3,(H2,9,10,11)/b5-4+
InChIKeyLEQSHAQESYAISU-SNAWJCMRSA-N
XLogP2.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.30
H-Bond Donors ≤ 52
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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Related Compounds

[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]phosphonic acid
CID 19854166
[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid
CID 10353790
Farnesyl phosphonic acid
CID 87674765
hydroxy-oxo-[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]phosphanium
CID 19809616
[(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid
CID 90684380
methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid
CID 90684381
methoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid
CID 90684382
Ethylidene-tetramethylene phosphonic acid
CID 87731824
[(E)-hex-2-en-3-yl]-hydroxy-oxophosphanium
CID 134857996
[(E)-dec-5-en-5-yl]-hydroxy-oxophosphanium
CID 134934047
[(3E)-4,8-dimethylnona-3,7-dienyl]phosphonic acid
CID 11458913
(2E)-3,7-dimethyl-2,6-octadienylphosphonic acid
CID 13854399

Frequently Asked Questions

What is the IUPAC name of [(E)-oct-4-enyl]phosphonic acid?
The IUPAC name of [(E)-oct-4-enyl]phosphonic acid (CID 22971762) is [(E)-oct-4-enyl]phosphonic acid.
What is the SMILES notation for [(E)-oct-4-enyl]phosphonic acid?
The canonical SMILES for [(E)-oct-4-enyl]phosphonic acid is CCC/C=C/CCCP(=O)(O)O.
What is the InChIKey of [(E)-oct-4-enyl]phosphonic acid?
The InChIKey is LEQSHAQESYAISU-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H17O3P/c1-2-3-4-5-6-7-8-12(9,10)11/h4-5H,2-3,6-8H2,1H3,(H2,9,10,11)/b5-4+.
What are the key properties of [(E)-oct-4-enyl]phosphonic acid?
[(E)-oct-4-enyl]phosphonic acid has a molecular weight of 192.19 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-oct-4-enyl]phosphonic acid is sourced from PubChem (CID 22971762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).