CID 88676918

C5H7O3P — CID 88676918

IUPAC—
SMILESO=P(=O)C12CCCC1O2
InChIInChI=1S/C5H7O3P/c6-9(7)5-3-1-2-4(5)8-5/h4H,1-3H2
InChIKeyFMADWSHPYJZNRA-UHFFFAOYSA-N
MW146.08 g/mol
LogP1.44
Rot. Bonds1

About CID 88676918

CID 88676918 (PubChem CID 88676918) has the molecular formula C5H7O3P and a molecular weight of 146.08 g/mol.

Molecular Properties

Compound NameCID 88676918
PubChem CID88676918
Molecular FormulaC5H7O3P
Molecular Weight146.08 g/mol
Exact Mass146.01
IUPAC Name—
SMILESO=P(=O)C12CCCC1O2
InChIInChI=1S/C5H7O3P/c6-9(7)5-3-1-2-4(5)8-5/h4H,1-3H2
InChIKeyFMADWSHPYJZNRA-UHFFFAOYSA-N
XLogP1.44
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-oxabicyclo[4.1.0]heptan-1-ol
CID 12599618
1-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]cyclobutan-1-ol
CID 15438099
6-oxabicyclo[3.1.0]hexane-1-carboxylic acid
CID 45120305
1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane
CID 4694469
(3aR,6aR)-3a-hydroxy-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 10630599
7-oxabicyclo[4.1.0]heptan-1-yl acetate
CID 539060
(10S)-2,11-dioxatricyclo[8.1.0.01,3]undecane
CID 134992826
1-fluoro-13-oxabicyclo[10.1.0]tridecane
CID 11052651
1-(2-hydroxy-6-methyloxan-2-yl)-2-methylpropan-1-one
CID 155264401
(3R,3aS,6aR)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol
CID 10582888
(9R)-7,7,13-trimethyl-6,8-dioxatricyclo[7.4.0.01,5]tridecane
CID 135037220
(4S,6R,8R,10S)-4,10-dimethyl-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 139254043

Frequently Asked Questions

What is the IUPAC name of CID 88676918?
The IUPAC name of CID 88676918 (CID 88676918) is not available.
What is the SMILES notation for CID 88676918?
The canonical SMILES for CID 88676918 is O=P(=O)C12CCCC1O2.
What is the InChIKey of CID 88676918?
The InChIKey is FMADWSHPYJZNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O3P/c6-9(7)5-3-1-2-4(5)8-5/h4H,1-3H2.
What are the key properties of CID 88676918?
CID 88676918 has a molecular weight of 146.08 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88676918 is sourced from PubChem (CID 88676918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).