butylphosphane;phosphoric acid

C12H36O4P4 — CID 174472926

IUPACbutylphosphane;phosphoric acid
SMILESCCCCP.CCCCP.CCCCP.O=P(O)(O)O
InChIInChI=1S/3C4H11P.H3O4P/c3*1-2-3-4-5;1-5(2,3)4/h3*2-5H2,1H3;(H3,1,2,3,4)
InChIKeyQQZSHZRHMXSTAN-UHFFFAOYSA-N
MW368.31 g/mol
LogP4.06
Rot. Bonds6

About butylphosphane;phosphoric acid

butylphosphane;phosphoric acid (PubChem CID 174472926) has the molecular formula C12H36O4P4 and a molecular weight of 368.31 g/mol. Its IUPAC name is butylphosphane;phosphoric acid.

Molecular Properties

Compound Namebutylphosphane;phosphoric acid
PubChem CID174472926
Molecular FormulaC12H36O4P4
Molecular Weight368.31 g/mol
Exact Mass368.16
IUPAC Namebutylphosphane;phosphoric acid
SMILESCCCCP.CCCCP.CCCCP.O=P(O)(O)O
InChIInChI=1S/3C4H11P.H3O4P/c3*1-2-3-4-5;1-5(2,3)4/h3*2-5H2,1H3;(H3,1,2,3,4)
InChIKeyQQZSHZRHMXSTAN-UHFFFAOYSA-N
XLogP4.06
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodecane;phosphoric acid
CID 88801558
butylphosphane;tellane
CID 175275309
ethylphosphane;phosphoric acid
CID 175495046
CID 172717097
CID 172717097
methane;pentadecane;phosphoric acid;hydrate
CID 173085689
ethane;henicosane;phosphoric acid;hydrate
CID 173085892
docosane;ethane;henicosane;methane;phosphoric acid;dihydrate
CID 173171736
cyclohexane;phosphoric acid;bis(tetradecane)
CID 175142531
azane;pentylphosphonic acid
CID 173073704
nonakis(N,N-dibutylbutan-1-amine);phosphoric acid
CID 173155970
heptadecan-1-ol;phosphoric acid
CID 174616506
butane;methane;phosphoric acid;hydrate
CID 173079168

Frequently Asked Questions

What is the IUPAC name of butylphosphane;phosphoric acid?
The IUPAC name of butylphosphane;phosphoric acid (CID 174472926) is butylphosphane;phosphoric acid.
What is the SMILES notation for butylphosphane;phosphoric acid?
The canonical SMILES for butylphosphane;phosphoric acid is CCCCP.CCCCP.CCCCP.O=P(O)(O)O.
What is the InChIKey of butylphosphane;phosphoric acid?
The InChIKey is QQZSHZRHMXSTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H11P.H3O4P/c3*1-2-3-4-5;1-5(2,3)4/h3*2-5H2,1H3;(H3,1,2,3,4).
What are the key properties of butylphosphane;phosphoric acid?
butylphosphane;phosphoric acid has a molecular weight of 368.31 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylphosphane;phosphoric acid is sourced from PubChem (CID 174472926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).