(5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol

C11H21OP — CID 122493889

IUPAC(5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol
SMILESCP1C2(C)CCC[C@@]1(C)CC(O)C2
InChIInChI=1S/C11H21OP/c1-10-5-4-6-11(2,13(10)3)8-9(12)7-10/h9,12H,4-8H2,1-3H3/t9?,10-,11?,13?/m0/s1
InChIKeyACOYEAVYKHWECG-CIYITXRRSA-N
MW200.26 g/mol
LogP2.95
Rot. Bonds

About (5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol

(5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol (PubChem CID 122493889) has the molecular formula C11H21OP and a molecular weight of 200.26 g/mol. Its IUPAC name is (5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol
PubChem CID122493889
Molecular FormulaC11H21OP
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name(5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol
SMILESCP1C2(C)CCC[C@@]1(C)CC(O)C2
InChIInChI=1S/C11H21OP/c1-10-5-4-6-11(2,13(10)3)8-9(12)7-10/h9,12H,4-8H2,1-3H3/t9?,10-,11?,13?/m0/s1
InChIKeyACOYEAVYKHWECG-CIYITXRRSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol (CID 122493889) is (5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol is CP1C2(C)CCC[C@@]1(C)CC(O)C2.
What is the InChIKey of (5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol?
The InChIKey is ACOYEAVYKHWECG-CIYITXRRSA-N. The full InChI is InChI=1S/C11H21OP/c1-10-5-4-6-11(2,13(10)3)8-9(12)7-10/h9,12H,4-8H2,1-3H3/t9?,10-,11?,13?/m0/s1.
What are the key properties of (5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol?
(5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol has a molecular weight of 200.26 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,5,9-trimethyl-9-phosphabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 122493889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).