dodeca-5,7,9,11-tetraen-3-ylphosphonic acid

C12H19O3P — CID 54296435

IUPACdodeca-5,7,9,11-tetraen-3-ylphosphonic acid
SMILESC=CC=CC=CC=CCC(CC)P(=O)(O)O
InChIInChI=1S/C12H19O3P/c1-3-5-6-7-8-9-10-11-12(4-2)16(13,14)15/h3,5-10,12H,1,4,11H2,2H3,(H2,13,14,15)
InChIKeySBCCQFJAQBVKMM-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.19
Rot. Bonds7

About dodeca-5,7,9,11-tetraen-3-ylphosphonic acid

dodeca-5,7,9,11-tetraen-3-ylphosphonic acid (PubChem CID 54296435) has the molecular formula C12H19O3P and a molecular weight of 242.26 g/mol. Its IUPAC name is dodeca-5,7,9,11-tetraen-3-ylphosphonic acid.

Molecular Properties

Compound Namedodeca-5,7,9,11-tetraen-3-ylphosphonic acid
PubChem CID54296435
Molecular FormulaC12H19O3P
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Namedodeca-5,7,9,11-tetraen-3-ylphosphonic acid
SMILESC=CC=CC=CC=CCC(CC)P(=O)(O)O
InChIInChI=1S/C12H19O3P/c1-3-5-6-7-8-9-10-11-12(4-2)16(13,14)15/h3,5-10,12H,1,4,11H2,2H3,(H2,13,14,15)
InChIKeySBCCQFJAQBVKMM-UHFFFAOYSA-N
XLogP3.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy-[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphoryl]methylphosphonic acid
CID 14167119
[[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-hydroxyphosphoryl]methylphosphonic acid
CID 14167123
[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]phosphonic acid
CID 10353790
Farnesyl phosphonic acid
CID 87674765
[(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)-dec-5-en-5-yl]-hydroxy-oxophosphanium
CID 134934047
(2E,4E)-1-diethoxyphosphorylnona-2,4-diene
CID 11043502
[(1E,3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraenyl]phosphonic acid
CID 10017574
[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-phosphonooxyphosphinic acid
CID 10018240

Frequently Asked Questions

What is the IUPAC name of dodeca-5,7,9,11-tetraen-3-ylphosphonic acid?
The IUPAC name of dodeca-5,7,9,11-tetraen-3-ylphosphonic acid (CID 54296435) is dodeca-5,7,9,11-tetraen-3-ylphosphonic acid.
What is the SMILES notation for dodeca-5,7,9,11-tetraen-3-ylphosphonic acid?
The canonical SMILES for dodeca-5,7,9,11-tetraen-3-ylphosphonic acid is C=CC=CC=CC=CCC(CC)P(=O)(O)O.
What is the InChIKey of dodeca-5,7,9,11-tetraen-3-ylphosphonic acid?
The InChIKey is SBCCQFJAQBVKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O3P/c1-3-5-6-7-8-9-10-11-12(4-2)16(13,14)15/h3,5-10,12H,1,4,11H2,2H3,(H2,13,14,15).
What are the key properties of dodeca-5,7,9,11-tetraen-3-ylphosphonic acid?
dodeca-5,7,9,11-tetraen-3-ylphosphonic acid has a molecular weight of 242.26 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-5,7,9,11-tetraen-3-ylphosphonic acid is sourced from PubChem (CID 54296435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).