9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene

C8H15O2P — CID 123249112

IUPAC9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene
SMILESOP1(O)=C2CCCCC1CC2
InChIInChI=1S/C8H15O2P/c9-11(10)7-3-1-2-4-8(11)6-5-7/h7,9-10H,1-6H2
InChIKeyKOBRNVLVACNOIW-UHFFFAOYSA-N
MW174.18 g/mol
LogP1.73
Rot. Bonds

About 9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene

9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene (PubChem CID 123249112) has the molecular formula C8H15O2P and a molecular weight of 174.18 g/mol. Its IUPAC name is 9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene.

Molecular Properties

Compound Name9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene
PubChem CID123249112
Molecular FormulaC8H15O2P
Molecular Weight174.18 g/mol
Exact Mass174.08
IUPAC Name9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene
SMILESOP1(O)=C2CCCCC1CC2
InChIInChI=1S/C8H15O2P/c9-11(10)7-3-1-2-4-8(11)6-5-7/h7,9-10H,1-6H2
InChIKeyKOBRNVLVACNOIW-UHFFFAOYSA-N
XLogP1.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide
CID 171050825
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CID 23092761
1-(2-hydroxycyclohexyl)azepane-2,7-dione
CID 60884902
6-hydroxycyclododecan-1-one
CID 130125140
7-hydroxycyclododecan-1-one
CID 130125137
2-cyclopropylidenecyclohexan-1-ol
CID 71322979
2-hydroxycycloundecan-1-one
CID 12608300
2-hydroxycyclotetracosan-1-one
CID 13429421
(1Z)-cyclooctene-1,2,3-tricarboxylic acid
CID 121331499
(1E,2S)-1-ethylidene-2-methylcyclohexane
CID 148695286
1-hydroxy-2-(1-hydroxypiperidin-2-yl)piperidine
CID 4961560
cyclopropylidenemethylcyclopentane
CID 148648629

Frequently Asked Questions

What is the IUPAC name of 9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene?
The IUPAC name of 9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene (CID 123249112) is 9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene.
What is the SMILES notation for 9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene?
The canonical SMILES for 9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene is OP1(O)=C2CCCCC1CC2.
What is the InChIKey of 9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene?
The InChIKey is KOBRNVLVACNOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2P/c9-11(10)7-3-1-2-4-8(11)6-5-7/h7,9-10H,1-6H2.
What are the key properties of 9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene?
9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene has a molecular weight of 174.18 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dihydroxy-9λ5-phosphabicyclo[4.2.1]non-1(9)-ene is sourced from PubChem (CID 123249112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).