(1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one

C13H21O3P — CID 134475153

IUPAC(1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one
SMILESCCC1CCC2C1C(O)[C@]1(P)CC(=O)[C@@]2(C)O1
InChIInChI=1S/C13H21O3P/c1-3-7-4-5-8-10(7)11(15)13(17)6-9(14)12(8,2)16-13/h7-8,10-11,15H,3-6,17H2,1-2H3/t7?,8?,10?,11?,12-,13+/m0/s1
InChIKeyZFCNZADOLNEAMU-XAWURGNVSA-N
MW256.28 g/mol
LogP1.73
Rot. Bonds1

About (1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one

(1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one (PubChem CID 134475153) has the molecular formula C13H21O3P and a molecular weight of 256.28 g/mol. Its IUPAC name is (1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one.

Molecular Properties

Compound Name(1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one
PubChem CID134475153
Molecular FormulaC13H21O3P
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name(1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one
SMILESCCC1CCC2C1C(O)[C@]1(P)CC(=O)[C@@]2(C)O1
InChIInChI=1S/C13H21O3P/c1-3-7-4-5-8-10(7)11(15)13(17)6-9(14)12(8,2)16-13/h7-8,10-11,15H,3-6,17H2,1-2H3/t7?,8?,10?,11?,12-,13+/m0/s1
InChIKeyZFCNZADOLNEAMU-XAWURGNVSA-N
XLogP1.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one 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 (1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one?
The IUPAC name of (1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one (CID 134475153) is (1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one.
What is the SMILES notation for (1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one?
The canonical SMILES for (1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one is CCC1CCC2C1C(O)[C@]1(P)CC(=O)[C@@]2(C)O1.
What is the InChIKey of (1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one?
The InChIKey is ZFCNZADOLNEAMU-XAWURGNVSA-N. The full InChI is InChI=1S/C13H21O3P/c1-3-7-4-5-8-10(7)11(15)13(17)6-9(14)12(8,2)16-13/h7-8,10-11,15H,3-6,17H2,1-2H3/t7?,8?,10?,11?,12-,13+/m0/s1.
What are the key properties of (1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one?
(1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one has a molecular weight of 256.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-5-ethyl-7-hydroxy-1-methyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one is sourced from PubChem (CID 134475153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).