[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid

C10H22O5P2 — CID 130287570

IUPAC[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid
SMILESCC1(CC(O)(P(O)O)P(C)(=O)O)CCCCC1
InChIInChI=1S/C10H22O5P2/c1-9(6-4-3-5-7-9)8-10(11,16(12)13)17(2,14)15/h11-13H,3-8H2,1-2H3,(H,14,15)
InChIKeyNBJKVZRBYIDPJI-UHFFFAOYSA-N
MW284.23 g/mol
LogP2.19
Rot. Bonds4

About [1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid

[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid (PubChem CID 130287570) has the molecular formula C10H22O5P2 and a molecular weight of 284.23 g/mol. Its IUPAC name is [1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid.

Molecular Properties

Compound Name[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid
PubChem CID130287570
Molecular FormulaC10H22O5P2
Molecular Weight284.23 g/mol
Exact Mass284.09
IUPAC Name[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid
SMILESCC1(CC(O)(P(O)O)P(C)(=O)O)CCCCC1
InChIInChI=1S/C10H22O5P2/c1-9(6-4-3-5-7-9)8-10(11,16(12)13)17(2,14)15/h11-13H,3-8H2,1-2H3,(H,14,15)
InChIKeyNBJKVZRBYIDPJI-UHFFFAOYSA-N
XLogP2.19
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-methylcyclohexyl)phosphonic acid
CID 154345979
3-amino-2-methyl-1-(1-methylcyclopentyl)butan-2-ol
CID 130578289
(1-methylcyclododecyl)methanol
CID 70130772
2-(1-methylcyclohexyl)ethane-1,1-diol
CID 59872782
2-(1-methylcyclohexyl)acetohydrazide
CID 131019912
acetylene;1-methylcyclohexan-1-ol
CID 142432034
(1-methylcyclohexyl)sulfanylphosphonic acid
CID 21217425
formic acid;1-methylcyclohexan-1-ol
CID 163667859
1-methyl-1-(nitrosomethyl)cyclopentane
CID 88905050
2-(1-methylcyclohexyl)ethyl acetate
CID 70251628
[2-fluoro-2-methyl-1-(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid
CID 66796815
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid?
The IUPAC name of [1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid (CID 130287570) is [1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid.
What is the SMILES notation for [1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid?
The canonical SMILES for [1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid is CC1(CC(O)(P(O)O)P(C)(=O)O)CCCCC1.
What is the InChIKey of [1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid?
The InChIKey is NBJKVZRBYIDPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5P2/c1-9(6-4-3-5-7-9)8-10(11,16(12)13)17(2,14)15/h11-13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of [1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid?
[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid has a molecular weight of 284.23 g/mol, XLogP of 2.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-1-[hydroxy(methyl)phosphoryl]-2-(1-methylcyclohexyl)ethyl]phosphonous acid is sourced from PubChem (CID 130287570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).