1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol

C8H13O2P — CID 13022165

IUPAC1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol
SMILESCP1(=O)CCC2(O)CC=CC21
InChIInChI=1S/C8H13O2P/c1-11(10)6-5-8(9)4-2-3-7(8)11/h2-3,7,9H,4-6H2,1H3
InChIKeyDNNGOPGOIFFIIJ-UHFFFAOYSA-N
MW172.16 g/mol
LogP1.44
Rot. Bonds

About 1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol

1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol (PubChem CID 13022165) has the molecular formula C8H13O2P and a molecular weight of 172.16 g/mol. Its IUPAC name is 1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol.

Molecular Properties

Compound Name1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol
PubChem CID13022165
Molecular FormulaC8H13O2P
Molecular Weight172.16 g/mol
Exact Mass172.07
IUPAC Name1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol
SMILESCP1(=O)CCC2(O)CC=CC21
InChIInChI=1S/C8H13O2P/c1-11(10)6-5-8(9)4-2-3-7(8)11/h2-3,7,9H,4-6H2,1H3
InChIKeyDNNGOPGOIFFIIJ-UHFFFAOYSA-N
XLogP1.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol?
The IUPAC name of 1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol (CID 13022165) is 1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol.
What is the SMILES notation for 1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol?
The canonical SMILES for 1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol is CP1(=O)CCC2(O)CC=CC21.
What is the InChIKey of 1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol?
The InChIKey is DNNGOPGOIFFIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O2P/c1-11(10)6-5-8(9)4-2-3-7(8)11/h2-3,7,9H,4-6H2,1H3.
What are the key properties of 1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol?
1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol has a molecular weight of 172.16 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol is sourced from PubChem (CID 13022165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).