tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane

C7H22O12P4+4 — CID 159674948

IUPACtetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane
SMILESCC1CCCCC1.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C7H14.4HO3P/c1-7-5-3-2-4-6-7;4*1-4(2)3/h7H,2-6H2,1H3;4*(H-,1,2,3)/p+4
InChIKeyHFDVMLIEQUGOQM-UHFFFAOYSA-R
MW422.14 g/mol
LogP1.10
Rot. Bonds

About tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane

tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane (PubChem CID 159674948) has the molecular formula C7H22O12P4+4 and a molecular weight of 422.14 g/mol. Its IUPAC name is tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane.

Molecular Properties

Compound Nametetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane
PubChem CID159674948
Molecular FormulaC7H22O12P4+4
Molecular Weight422.14 g/mol
Exact Mass422.00
IUPAC Nametetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane
SMILESCC1CCCCC1.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C7H14.4HO3P/c1-7-5-3-2-4-6-7;4*1-4(2)3/h7H,2-6H2,1H3;4*(H-,1,2,3)/p+4
InChIKeyHFDVMLIEQUGOQM-UHFFFAOYSA-R
XLogP1.10
TPSA230.12 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.14
LogP ≤ 51.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
methane;methylcyclohexane
CID 143705611
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
gallane;methylcyclohexane
CID 174461507
methylcyclopentane
CID 7296
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326
ethane;methylcyclohexane;dihydrate
CID 144526565
methylcyclohexane;phosphane;pentahydrochloride
CID 174057866
ethane;methane;methylcyclohexane
CID 142966230
ethane;methylcyclohexane;sulfane
CID 145330244
methane;methylcyclobutane;methylcyclohexane;methylcyclopentane
CID 159112389

Frequently Asked Questions

What is the IUPAC name of tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane?
The IUPAC name of tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane (CID 159674948) is tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane.
What is the SMILES notation for tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane?
The canonical SMILES for tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane is CC1CCCCC1.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.O=[P+](O)O.
What is the InChIKey of tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane?
The InChIKey is HFDVMLIEQUGOQM-UHFFFAOYSA-R. The full InChI is InChI=1S/C7H14.4HO3P/c1-7-5-3-2-4-6-7;4*1-4(2)3/h7H,2-6H2,1H3;4*(H-,1,2,3)/p+4.
What are the key properties of tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane?
tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane has a molecular weight of 422.14 g/mol, XLogP of 1.10, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dihydroxy(oxo)phosphanium);methylcyclohexane is sourced from PubChem (CID 159674948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).