(4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate

C9H19O4P — CID 71033335

IUPAC(4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate
SMILESCCC1CC(C)C(COP(=O)(O)O)C1
InChIInChI=1S/C9H19O4P/c1-3-8-4-7(2)9(5-8)6-13-14(10,11)12/h7-9H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyJQKRKJOLDBRUHU-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.17
Rot. Bonds4

About (4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate

(4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate (PubChem CID 71033335) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is (4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate.

Molecular Properties

Compound Name(4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate
PubChem CID71033335
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Name(4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate
SMILESCCC1CC(C)C(COP(=O)(O)O)C1
InChIInChI=1S/C9H19O4P/c1-3-8-4-7(2)9(5-8)6-13-14(10,11)12/h7-9H,3-6H2,1-2H3,(H2,10,11,12)
InChIKeyJQKRKJOLDBRUHU-UHFFFAOYSA-N
XLogP2.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate?
The IUPAC name of (4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate (CID 71033335) is (4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate.
What is the SMILES notation for (4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate?
The canonical SMILES for (4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate is CCC1CC(C)C(COP(=O)(O)O)C1.
What is the InChIKey of (4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate?
The InChIKey is JQKRKJOLDBRUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4P/c1-3-8-4-7(2)9(5-8)6-13-14(10,11)12/h7-9H,3-6H2,1-2H3,(H2,10,11,12).
What are the key properties of (4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate?
(4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate has a molecular weight of 222.22 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-methylcyclopentyl)methyl dihydrogen phosphate is sourced from PubChem (CID 71033335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).