acetic acid;bis(tributylphosphane);hydrochloride

C26H59ClO2P2 — CID 174344265

IUPACacetic acid;bis(tributylphosphane);hydrochloride
SMILESCC(=O)O.CCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.Cl
InChIInChI=1S/2C12H27P.C2H4O2.ClH/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;1-2(3)4;/h2*4-12H2,1-3H3;1H3,(H,3,4);1H
InChIKeyUOQFEOLEPANDDM-UHFFFAOYSA-N
MW501.16 g/mol
LogP10.25
Rot. Bonds18

About acetic acid;bis(tributylphosphane);hydrochloride

acetic acid;bis(tributylphosphane);hydrochloride (PubChem CID 174344265) has the molecular formula C26H59ClO2P2 and a molecular weight of 501.16 g/mol. Its IUPAC name is acetic acid;bis(tributylphosphane);hydrochloride.

Molecular Properties

Compound Nameacetic acid;bis(tributylphosphane);hydrochloride
PubChem CID174344265
Molecular FormulaC26H59ClO2P2
Molecular Weight501.16 g/mol
Exact Mass500.37
IUPAC Nameacetic acid;bis(tributylphosphane);hydrochloride
SMILESCC(=O)O.CCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.Cl
InChIInChI=1S/2C12H27P.C2H4O2.ClH/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;1-2(3)4;/h2*4-12H2,1-3H3;1H3,(H,3,4);1H
InChIKeyUOQFEOLEPANDDM-UHFFFAOYSA-N
XLogP10.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.16
LogP ≤ 510.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 158741952
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carbonic acid;trioctylphosphane
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ruthenium;tetrakis(tributylphosphane)
CID 137286049
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CID 87538509
nickel;bis(tributylphosphane)
CID 50940317
gold;tributylphosphane
CID 88800341
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CID 161451777
formaldehyde;platinum;bis(tributylphosphane)
CID 173341765
acetic acid;nonane
CID 174272180
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CID 172853582

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(tributylphosphane);hydrochloride?
The IUPAC name of acetic acid;bis(tributylphosphane);hydrochloride (CID 174344265) is acetic acid;bis(tributylphosphane);hydrochloride.
What is the SMILES notation for acetic acid;bis(tributylphosphane);hydrochloride?
The canonical SMILES for acetic acid;bis(tributylphosphane);hydrochloride is CC(=O)O.CCCCP(CCCC)CCCC.CCCCP(CCCC)CCCC.Cl.
What is the InChIKey of acetic acid;bis(tributylphosphane);hydrochloride?
The InChIKey is UOQFEOLEPANDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H27P.C2H4O2.ClH/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;1-2(3)4;/h2*4-12H2,1-3H3;1H3,(H,3,4);1H.
What are the key properties of acetic acid;bis(tributylphosphane);hydrochloride?
acetic acid;bis(tributylphosphane);hydrochloride has a molecular weight of 501.16 g/mol, XLogP of 10.25, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(tributylphosphane);hydrochloride is sourced from PubChem (CID 174344265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).