ethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid

C11H21O3P — CID 91265126

IUPACethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid
SMILESCCP(=O)(O)CCCCC1=CC(O)CC1
InChIInChI=1S/C11H21O3P/c1-2-15(13,14)8-4-3-5-10-6-7-11(12)9-10/h9,11-12H,2-8H2,1H3,(H,13,14)
InChIKeyDABMRRAYLBLQQX-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.53
Rot. Bonds6

About ethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid

ethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid (PubChem CID 91265126) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is ethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid.

Molecular Properties

Compound Nameethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid
PubChem CID91265126
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Nameethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid
SMILESCCP(=O)(O)CCCCC1=CC(O)CC1
InChIInChI=1S/C11H21O3P/c1-2-15(13,14)8-4-3-5-10-6-7-11(12)9-10/h9,11-12H,2-8H2,1H3,(H,13,14)
InChIKeyDABMRRAYLBLQQX-UHFFFAOYSA-N
XLogP2.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid?
The IUPAC name of ethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid (CID 91265126) is ethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid.
What is the SMILES notation for ethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid?
The canonical SMILES for ethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid is CCP(=O)(O)CCCCC1=CC(O)CC1.
What is the InChIKey of ethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid?
The InChIKey is DABMRRAYLBLQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O3P/c1-2-15(13,14)8-4-3-5-10-6-7-11(12)9-10/h9,11-12H,2-8H2,1H3,(H,13,14).
What are the key properties of ethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid?
ethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid has a molecular weight of 232.26 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-(3-hydroxycyclopenten-1-yl)butyl]phosphinic acid is sourced from PubChem (CID 91265126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).