CID 101187988

C6H12O3P — CID 101187988

IUPAC—
SMILESC=[C]P(=O)(OCC)OCC
InChIInChI=1S/C6H12O3P/c1-4-8-10(7,6-3)9-5-2/h3-5H2,1-2H3
InChIKeyMMGVGHWCUAGMMJ-UHFFFAOYSA-N
MW163.13 g/mol
LogP2.20
Rot. Bonds5

About CID 101187988

CID 101187988 (PubChem CID 101187988) has the molecular formula C6H12O3P and a molecular weight of 163.13 g/mol.

Molecular Properties

Compound NameCID 101187988
PubChem CID101187988
Molecular FormulaC6H12O3P
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name—
SMILESC=[C]P(=O)(OCC)OCC
InChIInChI=1S/C6H12O3P/c1-4-8-10(7,6-3)9-5-2/h3-5H2,1-2H3
InChIKeyMMGVGHWCUAGMMJ-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 101187988 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethoxyphosphorylformonitrile;methanediimine;hydrochloride
CID 155345866
(E)-1-diethoxyphosphoryl-3-methylpent-3-en-1-yne
CID 5370224
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
1-dimethylphosphorylethane;1-dimethylphosphoryloxyethane;methane
CID 160513005
disodium;ethyl phosphate
CID 11970393
1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
CID 11062590
tetrasodium ethyl phosphate
CID 141178132
CID 131882906
CID 131882906
diaminophosphoryloxyethane
CID 12620494
3-diethoxyphosphorylbut-1-ene
CID 13357671
ethyl (1E)-N-diethoxyphosphorylmethanimidate
CID 11127522
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265

Frequently Asked Questions

What is the IUPAC name of CID 101187988?
The IUPAC name of CID 101187988 (CID 101187988) is not available.
What is the SMILES notation for CID 101187988?
The canonical SMILES for CID 101187988 is C=[C]P(=O)(OCC)OCC.
What is the InChIKey of CID 101187988?
The InChIKey is MMGVGHWCUAGMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3P/c1-4-8-10(7,6-3)9-5-2/h3-5H2,1-2H3.
What are the key properties of CID 101187988?
CID 101187988 has a molecular weight of 163.13 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101187988 is sourced from PubChem (CID 101187988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).