dodecane;phosphoric acid

C12H32O8P2 — CID 88801558

IUPACdodecane;phosphoric acid
SMILESCCCCCCCCCCCC.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C12H26.2H3O4P/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-5(2,3)4/h3-12H2,1-2H3;2*(H3,1,2,3,4)
InChIKeyVLUYVNGTYKFGNS-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.07
Rot. Bonds9

About dodecane;phosphoric acid

dodecane;phosphoric acid (PubChem CID 88801558) has the molecular formula C12H32O8P2 and a molecular weight of 366.33 g/mol. Its IUPAC name is dodecane;phosphoric acid.

Molecular Properties

Compound Namedodecane;phosphoric acid
PubChem CID88801558
Molecular FormulaC12H32O8P2
Molecular Weight366.33 g/mol
Exact Mass366.16
IUPAC Namedodecane;phosphoric acid
SMILESCCCCCCCCCCCC.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C12H26.2H3O4P/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-5(2,3)4/h3-12H2,1-2H3;2*(H3,1,2,3,4)
InChIKeyVLUYVNGTYKFGNS-UHFFFAOYSA-N
XLogP3.07
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.33
LogP ≤ 53.07
H-Bond Donors ≤ 56
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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CID 173085689
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cyclohexane;phosphoric acid;bis(tetradecane)
CID 175142531
heptadecan-1-ol;phosphoric acid
CID 174616506
1-chloroicosane;phosphoric acid
CID 174813023
dodecylphosphonic acid;phosphoric acid
CID 88779225
tris(hexadecan-1-amine);phosphoric acid
CID 173300602
octadecan-1-ol;phosphoric acid;zinc
CID 175122102
octadecylindigane;phosphoric acid
CID 174949422
phosphoric acid;silane;tridecan-1-ol
CID 174860606
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CID 173003303

Frequently Asked Questions

What is the IUPAC name of dodecane;phosphoric acid?
The IUPAC name of dodecane;phosphoric acid (CID 88801558) is dodecane;phosphoric acid.
What is the SMILES notation for dodecane;phosphoric acid?
The canonical SMILES for dodecane;phosphoric acid is CCCCCCCCCCCC.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of dodecane;phosphoric acid?
The InChIKey is VLUYVNGTYKFGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.2H3O4P/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-5(2,3)4/h3-12H2,1-2H3;2*(H3,1,2,3,4).
What are the key properties of dodecane;phosphoric acid?
dodecane;phosphoric acid has a molecular weight of 366.33 g/mol, XLogP of 3.07, 9 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane;phosphoric acid is sourced from PubChem (CID 88801558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).