tetradec-9-enoylphosphonic acid

C14H27O4P — CID 173391216

IUPACtetradec-9-enoylphosphonic acid
SMILESCCCCC=CCCCCCCCC(=O)P(=O)(O)O
InChIInChI=1S/C14H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)19(16,17)18/h5-6H,2-4,7-13H2,1H3,(H2,16,17,18)
InChIKeyKDCQWRXBQFYPTL-UHFFFAOYSA-N
MW290.34 g/mol
LogP4.17
Rot. Bonds12

About tetradec-9-enoylphosphonic acid

tetradec-9-enoylphosphonic acid (PubChem CID 173391216) has the molecular formula C14H27O4P and a molecular weight of 290.34 g/mol. Its IUPAC name is tetradec-9-enoylphosphonic acid.

Molecular Properties

Compound Nametetradec-9-enoylphosphonic acid
PubChem CID173391216
Molecular FormulaC14H27O4P
Molecular Weight290.34 g/mol
Exact Mass290.16
IUPAC Nametetradec-9-enoylphosphonic acid
SMILESCCCCC=CCCCCCCCC(=O)P(=O)(O)O
InChIInChI=1S/C14H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)19(16,17)18/h5-6H,2-4,7-13H2,1H3,(H2,16,17,18)
InChIKeyKDCQWRXBQFYPTL-UHFFFAOYSA-N
XLogP4.17
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

di(octadec-9-enoyl)phosphinic acid
CID 173143631
(Z)-1-diethylphosphoryloctadec-9-en-1-one
CID 140994717
(Z)-tetradec-9-enoate
CID 5461014
icosa-5,15-dienoate
CID 57350570
(E)-octadec-13-enoate
CID 19042742
pentadec-10-en-3-one
CID 175973732
(5E,15Z)-icosa-5,15-dienoate
CID 154825312
(Z)-hexadec-9-enoic acid;phosphoric acid
CID 155410980
bis((Z)-octadec-9-enoic acid);phosphoric acid
CID 175722517
lanthanum(3+);tris((Z)-tetradec-9-enoate)
CID 158310142
(18-oxo-18-phosphonooctadecanoyl)phosphonic acid
CID 19008747
(E)-tetradec-9-enoic acid
CID 5312402

Frequently Asked Questions

What is the IUPAC name of tetradec-9-enoylphosphonic acid?
The IUPAC name of tetradec-9-enoylphosphonic acid (CID 173391216) is tetradec-9-enoylphosphonic acid.
What is the SMILES notation for tetradec-9-enoylphosphonic acid?
The canonical SMILES for tetradec-9-enoylphosphonic acid is CCCCC=CCCCCCCCC(=O)P(=O)(O)O.
What is the InChIKey of tetradec-9-enoylphosphonic acid?
The InChIKey is KDCQWRXBQFYPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)19(16,17)18/h5-6H,2-4,7-13H2,1H3,(H2,16,17,18).
What are the key properties of tetradec-9-enoylphosphonic acid?
tetradec-9-enoylphosphonic acid has a molecular weight of 290.34 g/mol, XLogP of 4.17, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-9-enoylphosphonic acid is sourced from PubChem (CID 173391216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).