3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol

C8H17O2P — CID 20871303

IUPAC3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol
SMILESCCC1CC(OP)C(O)C1C
InChIInChI=1S/C8H17O2P/c1-3-6-4-7(10-11)8(9)5(6)2/h5-9H,3-4,11H2,1-2H3
InChIKeyNTNBLPPZFKBROT-UHFFFAOYSA-N
MW176.20 g/mol
LogP1.59
Rot. Bonds2

About 3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol

3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol (PubChem CID 20871303) has the molecular formula C8H17O2P and a molecular weight of 176.20 g/mol. Its IUPAC name is 3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol.

Molecular Properties

Compound Name3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol
PubChem CID20871303
Molecular FormulaC8H17O2P
Molecular Weight176.20 g/mol
Exact Mass176.10
IUPAC Name3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol
SMILESCCC1CC(OP)C(O)C1C
InChIInChI=1S/C8H17O2P/c1-3-6-4-7(10-11)8(9)5(6)2/h5-9H,3-4,11H2,1-2H3
InChIKeyNTNBLPPZFKBROT-UHFFFAOYSA-N
XLogP1.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol?
The IUPAC name of 3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol (CID 20871303) is 3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol.
What is the SMILES notation for 3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol?
The canonical SMILES for 3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol is CCC1CC(OP)C(O)C1C.
What is the InChIKey of 3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol?
The InChIKey is NTNBLPPZFKBROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2P/c1-3-6-4-7(10-11)8(9)5(6)2/h5-9H,3-4,11H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol?
3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol has a molecular weight of 176.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol is sourced from PubChem (CID 20871303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).