(2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid

C10H21O3P — CID 59711604

IUPAC(2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid
SMILESCC1C(C)C(C)C(CP(=O)(O)O)C1C
InChIInChI=1S/C10H21O3P/c1-6-7(2)9(4)10(8(6)3)5-14(11,12)13/h6-10H,5H2,1-4H3,(H2,11,12,13)
InChIKeyNDXAYRIWKHRPAZ-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.34
Rot. Bonds2

About (2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid

(2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid (PubChem CID 59711604) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is (2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid.

Molecular Properties

Compound Name(2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid
PubChem CID59711604
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name(2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid
SMILESCC1C(C)C(C)C(CP(=O)(O)O)C1C
InChIInChI=1S/C10H21O3P/c1-6-7(2)9(4)10(8(6)3)5-14(11,12)13/h6-10H,5H2,1-4H3,(H2,11,12,13)
InChIKeyNDXAYRIWKHRPAZ-UHFFFAOYSA-N
XLogP2.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid?
The IUPAC name of (2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid (CID 59711604) is (2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid.
What is the SMILES notation for (2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid?
The canonical SMILES for (2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid is CC1C(C)C(C)C(CP(=O)(O)O)C1C.
What is the InChIKey of (2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid?
The InChIKey is NDXAYRIWKHRPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-6-7(2)9(4)10(8(6)3)5-14(11,12)13/h6-10H,5H2,1-4H3,(H2,11,12,13).
What are the key properties of (2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid?
(2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid has a molecular weight of 220.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetramethylcyclopentyl)methylphosphonic acid is sourced from PubChem (CID 59711604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).