1,2-didecylbenzene;phosphonous acid

C26H49O2P — CID 70526437

IUPAC1,2-didecylbenzene;phosphonous acid
SMILESCCCCCCCCCCc1ccccc1CCCCCCCCCC.OPO
InChIInChI=1S/C26H46.H3O2P/c1-3-5-7-9-11-13-15-17-21-25-23-19-20-24-26(25)22-18-16-14-12-10-8-6-4-2;1-3-2/h19-20,23-24H,3-18,21-22H2,1-2H3;1-3H
InChIKeyBCEQDQCWFQRMTJ-UHFFFAOYSA-N
MW424.65 g/mol
LogP8.53
Rot. Bonds18

About 1,2-didecylbenzene;phosphonous acid

1,2-didecylbenzene;phosphonous acid (PubChem CID 70526437) has the molecular formula C26H49O2P and a molecular weight of 424.65 g/mol. Its IUPAC name is 1,2-didecylbenzene;phosphonous acid.

Molecular Properties

Compound Name1,2-didecylbenzene;phosphonous acid
PubChem CID70526437
Molecular FormulaC26H49O2P
Molecular Weight424.65 g/mol
Exact Mass424.35
IUPAC Name1,2-didecylbenzene;phosphonous acid
SMILESCCCCCCCCCCc1ccccc1CCCCCCCCCC.OPO
InChIInChI=1S/C26H46.H3O2P/c1-3-5-7-9-11-13-15-17-21-25-23-19-20-24-26(25)22-18-16-14-12-10-8-6-4-2;1-3-2/h19-20,23-24H,3-18,21-22H2,1-2H3;1-3H
InChIKeyBCEQDQCWFQRMTJ-UHFFFAOYSA-N
XLogP8.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.65
LogP ≤ 58.53
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

1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
carbonic acid;1,2-dihexylbenzene
CID 174444225
(2-octylphenyl)methanol
CID 19826681
carbonic acid;1,2-dioctylbenzene
CID 174715227
1-ethyl-2-henicosylbenzene
CID 141174443
dihydroxy(oxo)phosphanium;1,2-dioctylbenzene
CID 67709665
2-dodecylphenol
CID 160834917

Frequently Asked Questions

What is the IUPAC name of 1,2-didecylbenzene;phosphonous acid?
The IUPAC name of 1,2-didecylbenzene;phosphonous acid (CID 70526437) is 1,2-didecylbenzene;phosphonous acid.
What is the SMILES notation for 1,2-didecylbenzene;phosphonous acid?
The canonical SMILES for 1,2-didecylbenzene;phosphonous acid is CCCCCCCCCCc1ccccc1CCCCCCCCCC.OPO.
What is the InChIKey of 1,2-didecylbenzene;phosphonous acid?
The InChIKey is BCEQDQCWFQRMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46.H3O2P/c1-3-5-7-9-11-13-15-17-21-25-23-19-20-24-26(25)22-18-16-14-12-10-8-6-4-2;1-3-2/h19-20,23-24H,3-18,21-22H2,1-2H3;1-3H.
What are the key properties of 1,2-didecylbenzene;phosphonous acid?
1,2-didecylbenzene;phosphonous acid has a molecular weight of 424.65 g/mol, XLogP of 8.53, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-didecylbenzene;phosphonous acid is sourced from PubChem (CID 70526437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).