6-pentyldodecan-6-ylphosphonous acid

C17H37O2P — CID 139309653

IUPAC6-pentyldodecan-6-ylphosphonous acid
SMILESCCCCCCC(CCCCC)(CCCCC)P(O)O
InChIInChI=1S/C17H37O2P/c1-4-7-10-13-16-17(20(18)19,14-11-8-5-2)15-12-9-6-3/h18-19H,4-16H2,1-3H3
InChIKeyTWQZILOMHSDORZ-UHFFFAOYSA-N
MW304.45 g/mol
LogP6.15
Rot. Bonds14

About 6-pentyldodecan-6-ylphosphonous acid

6-pentyldodecan-6-ylphosphonous acid (PubChem CID 139309653) has the molecular formula C17H37O2P and a molecular weight of 304.45 g/mol. Its IUPAC name is 6-pentyldodecan-6-ylphosphonous acid.

Molecular Properties

Compound Name6-pentyldodecan-6-ylphosphonous acid
PubChem CID139309653
Molecular FormulaC17H37O2P
Molecular Weight304.45 g/mol
Exact Mass304.25
IUPAC Name6-pentyldodecan-6-ylphosphonous acid
SMILESCCCCCCC(CCCCC)(CCCCC)P(O)O
InChIInChI=1S/C17H37O2P/c1-4-7-10-13-16-17(20(18)19,14-11-8-5-2)15-12-9-6-3/h18-19H,4-16H2,1-3H3
InChIKeyTWQZILOMHSDORZ-UHFFFAOYSA-N
XLogP6.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.45
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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9-ethylheptadecan-9-ol
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2-decyl-2-(hydroxymethyl)propane-1,3-diol;phosphorous acid
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dodecane-1,1,1-triol
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triacontane-1,1,1-triol
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tritriacontane-15,15,16,16-tetrol
CID 19863089
docosane-10,10-diol
CID 20528880
2-butyltetradecane-1,2-diol
CID 88924076
8-hexyl-8-pentylhexadecane
CID 521602
19-hexadecyl-19-nonylnonatriacontane
CID 90913331

Frequently Asked Questions

What is the IUPAC name of 6-pentyldodecan-6-ylphosphonous acid?
The IUPAC name of 6-pentyldodecan-6-ylphosphonous acid (CID 139309653) is 6-pentyldodecan-6-ylphosphonous acid.
What is the SMILES notation for 6-pentyldodecan-6-ylphosphonous acid?
The canonical SMILES for 6-pentyldodecan-6-ylphosphonous acid is CCCCCCC(CCCCC)(CCCCC)P(O)O.
What is the InChIKey of 6-pentyldodecan-6-ylphosphonous acid?
The InChIKey is TWQZILOMHSDORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37O2P/c1-4-7-10-13-16-17(20(18)19,14-11-8-5-2)15-12-9-6-3/h18-19H,4-16H2,1-3H3.
What are the key properties of 6-pentyldodecan-6-ylphosphonous acid?
6-pentyldodecan-6-ylphosphonous acid has a molecular weight of 304.45 g/mol, XLogP of 6.15, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyldodecan-6-ylphosphonous acid is sourced from PubChem (CID 139309653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).