(2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid

C9H20O7P2 — CID 135389562

IUPAC(2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid
SMILESCC(C1CCCCC1)C(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C9H20O7P2/c1-7(8-5-3-2-4-6-8)9(10,17(11,12)13)18(14,15)16/h7-8,10H,2-6H2,1H3,(H2,11,12,13)(H2,14,15,16)
InChIKeyDSJDQDZZOGHJAT-UHFFFAOYSA-N
MW302.20 g/mol
LogP1.20
Rot. Bonds4

About (2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid

(2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid (PubChem CID 135389562) has the molecular formula C9H20O7P2 and a molecular weight of 302.20 g/mol. Its IUPAC name is (2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid.

Molecular Properties

Compound Name(2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid
PubChem CID135389562
Molecular FormulaC9H20O7P2
Molecular Weight302.20 g/mol
Exact Mass302.07
IUPAC Name(2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid
SMILESCC(C1CCCCC1)C(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C9H20O7P2/c1-7(8-5-3-2-4-6-8)9(10,17(11,12)13)18(14,15)16/h7-8,10H,2-6H2,1H3,(H2,11,12,13)(H2,14,15,16)
InChIKeyDSJDQDZZOGHJAT-UHFFFAOYSA-N
XLogP1.20
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 51.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid
CID 130286975
(3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 89281788
[(1R)-1-cyclohexylethyl]carbamoylphosphonic acid
CID 10037048
1,1,1-trimethoxypropan-2-ylcyclohexane
CID 118007737
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
3-cyclohexyl-2-methylbutane-2-sulfinamide
CID 89464801
1,1-dicyclohexylpropane-2,2-diol
CID 141350052
2-cyclohexylpropanoic acid;(2S)-2,3,3-trimethylbutanoic acid
CID 91274139
methane;propan-2-ylcyclotetradecane
CID 159882779
1-cyclopentylethylcyclohexane
CID 57034702
(2-cyclohexyl-1,1-dimethoxypropyl)silane
CID 173326577
1-cycloheptylpropane-1,2-diol
CID 103452573

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid?
The IUPAC name of (2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid (CID 135389562) is (2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid.
What is the SMILES notation for (2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid?
The canonical SMILES for (2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid is CC(C1CCCCC1)C(O)(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of (2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid?
The InChIKey is DSJDQDZZOGHJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O7P2/c1-7(8-5-3-2-4-6-8)9(10,17(11,12)13)18(14,15)16/h7-8,10H,2-6H2,1H3,(H2,11,12,13)(H2,14,15,16).
What are the key properties of (2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid?
(2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid has a molecular weight of 302.20 g/mol, XLogP of 1.20, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid is sourced from PubChem (CID 135389562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).