8-methylpentadecan-8-ylphosphonic acid

C16H35O3P — CID 134232288

IUPAC8-methylpentadecan-8-ylphosphonic acid
SMILESCCCCCCCC(C)(CCCCCCC)P(=O)(O)O
InChIInChI=1S/C16H35O3P/c1-4-6-8-10-12-14-16(3,20(17,18)19)15-13-11-9-7-5-2/h4-15H2,1-3H3,(H2,17,18,19)
InChIKeyQPOQDEBZZMGPJL-UHFFFAOYSA-N
MW306.43 g/mol
LogP5.64
Rot. Bonds13

About 8-methylpentadecan-8-ylphosphonic acid

8-methylpentadecan-8-ylphosphonic acid (PubChem CID 134232288) has the molecular formula C16H35O3P and a molecular weight of 306.43 g/mol. Its IUPAC name is 8-methylpentadecan-8-ylphosphonic acid.

Molecular Properties

Compound Name8-methylpentadecan-8-ylphosphonic acid
PubChem CID134232288
Molecular FormulaC16H35O3P
Molecular Weight306.43 g/mol
Exact Mass306.23
IUPAC Name8-methylpentadecan-8-ylphosphonic acid
SMILESCCCCCCCC(C)(CCCCCCC)P(=O)(O)O
InChIInChI=1S/C16H35O3P/c1-4-6-8-10-12-14-16(3,20(17,18)19)15-13-11-9-7-5-2/h4-15H2,1-3H3,(H2,17,18,19)
InChIKeyQPOQDEBZZMGPJL-UHFFFAOYSA-N
XLogP5.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

2-phosphonononan-2-ylphosphonic acid
CID 141214497
5,5-dibutylhexadecane;phosphoric acid
CID 175353536
8-heptylpentacosan-8-ylphosphonic acid
CID 151553369
(1-hydroxy-1-phosphonohenicosyl)phosphonic acid
CID 57218930
3-ethyldecan-3-ylphosphonic acid
CID 20522343
3-ethylicosan-3-ylphosphonic acid
CID 146503819
methane;pentadecane;phosphoric acid;hydrate
CID 173085689
ethane;henicosane;phosphoric acid;hydrate
CID 173085892
dodecane;phosphoric acid
CID 88801558
tetrasodium;hydride;tetrakis((1-hydroxy-1-phosphonononyl)phosphonic acid)
CID 173412899
1,1-difluorohexylphosphonic acid
CID 87256620
bis(2-methylnonan-2-yl) hydrogen phosphate
CID 22497522

Frequently Asked Questions

What is the IUPAC name of 8-methylpentadecan-8-ylphosphonic acid?
The IUPAC name of 8-methylpentadecan-8-ylphosphonic acid (CID 134232288) is 8-methylpentadecan-8-ylphosphonic acid.
What is the SMILES notation for 8-methylpentadecan-8-ylphosphonic acid?
The canonical SMILES for 8-methylpentadecan-8-ylphosphonic acid is CCCCCCCC(C)(CCCCCCC)P(=O)(O)O.
What is the InChIKey of 8-methylpentadecan-8-ylphosphonic acid?
The InChIKey is QPOQDEBZZMGPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O3P/c1-4-6-8-10-12-14-16(3,20(17,18)19)15-13-11-9-7-5-2/h4-15H2,1-3H3,(H2,17,18,19).
What are the key properties of 8-methylpentadecan-8-ylphosphonic acid?
8-methylpentadecan-8-ylphosphonic acid has a molecular weight of 306.43 g/mol, XLogP of 5.64, 13 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylpentadecan-8-ylphosphonic acid is sourced from PubChem (CID 134232288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).