1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane

C32H69O5P — CID 157364534

IUPAC1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane
SMILESCC(C(=O)O)C1CCCC1.CC(C)C1CCCC1.CC(C1CCCC1)P(=O)(O)O.CCC.CCC.CCC
InChIInChI=1S/C8H14O2.C8H16.C7H15O3P.3C3H8/c1-6(8(9)10)7-4-2-3-5-7;1-7(2)8-5-3-4-6-8;1-6(11(8,9)10)7-4-2-3-5-7;3*1-3-2/h6-7H,2-5H2,1H3,(H,9,10);7-8H,3-6H2,1-2H3;6-7H,2-5H2,1H3,(H2,8,9,10);3*3H2,1-2H3
InChIKeyBJAISTIHEOGKHU-UHFFFAOYSA-N
MW564.87 g/mol
LogP10.72
Rot. Bonds5

About 1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane

1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane (PubChem CID 157364534) has the molecular formula C32H69O5P and a molecular weight of 564.87 g/mol. Its IUPAC name is 1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane
PubChem CID157364534
Molecular FormulaC32H69O5P
Molecular Weight564.87 g/mol
Exact Mass564.49
IUPAC Name1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane
SMILESCC(C(=O)O)C1CCCC1.CC(C)C1CCCC1.CC(C1CCCC1)P(=O)(O)O.CCC.CCC.CCC
InChIInChI=1S/C8H14O2.C8H16.C7H15O3P.3C3H8/c1-6(8(9)10)7-4-2-3-5-7;1-7(2)8-5-3-4-6-8;1-6(11(8,9)10)7-4-2-3-5-7;3*1-3-2/h6-7H,2-5H2,1H3,(H,9,10);7-8H,3-6H2,1-2H3;6-7H,2-5H2,1H3,(H2,8,9,10);3*3H2,1-2H3
InChIKeyBJAISTIHEOGKHU-UHFFFAOYSA-N
XLogP10.72
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.87
LogP ≤ 510.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propane;propan-2-ylcyclopentane
CID 91615250
2-cyclohexylpropanoic acid;(2S)-2,3,3-trimethylbutanoic acid
CID 91274139
2-(1-hydroxy-4-propan-2-ylcycloheptyl)pentanoic acid
CID 83042358
ethyl 2-cyclopentylpropanoate
CID 10654733
2,3-bis(1-cyclohexylethyl)but-2-enedioic acid
CID 67547723
3-cyclohexyl-2-oxobutanoic acid
CID 13391916
2-methylhexan-3-one;propan-2-ylcyclohexane
CID 166117967
(2R)-2-(4-methylcyclohexyl)propanoic acid
CID 96631531
2-cyclopentylpropanoyl chloride
CID 18426767
2-cycloheptylbutanoic acid
CID 79007061
2-cyclohexyl-4-methylpentan-3-one
CID 14086898
2-cyclohexylpropanoyl chloride
CID 3016042

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane?
The IUPAC name of 1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane (CID 157364534) is 1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane.
What is the SMILES notation for 1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane?
The canonical SMILES for 1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane is CC(C(=O)O)C1CCCC1.CC(C)C1CCCC1.CC(C1CCCC1)P(=O)(O)O.CCC.CCC.CCC.
What is the InChIKey of 1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane?
The InChIKey is BJAISTIHEOGKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C8H16.C7H15O3P.3C3H8/c1-6(8(9)10)7-4-2-3-5-7;1-7(2)8-5-3-4-6-8;1-6(11(8,9)10)7-4-2-3-5-7;3*1-3-2/h6-7H,2-5H2,1H3,(H,9,10);7-8H,3-6H2,1-2H3;6-7H,2-5H2,1H3,(H2,8,9,10);3*3H2,1-2H3.
What are the key properties of 1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane?
1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane has a molecular weight of 564.87 g/mol, XLogP of 10.72, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylethylphosphonic acid;2-cyclopentylpropanoic acid;propane;propan-2-ylcyclopentane is sourced from PubChem (CID 157364534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).