CID 10904932

C12H21AlO6P3 — CID 10904932

IUPAC—
SMILESO=P1(O)CC=CC1.O=P1(O)CC=CC1.O=P1(O)CC=CC1.[Al]
InChIInChI=1S/3C4H7O2P.Al/c3*5-7(6)3-1-2-4-7;/h3*1-2H,3-4H2,(H,5,6);
InChIKeyHIHVMSDHTNOHDX-UHFFFAOYSA-N
MW381.20 g/mol
LogP2.10
Rot. Bonds

About CID 10904932

CID 10904932 (PubChem CID 10904932) has the molecular formula C12H21AlO6P3 and a molecular weight of 381.20 g/mol.

Molecular Properties

Compound NameCID 10904932
PubChem CID10904932
Molecular FormulaC12H21AlO6P3
Molecular Weight381.20 g/mol
Exact Mass381.04
IUPAC Name—
SMILESO=P1(O)CC=CC1.O=P1(O)CC=CC1.O=P1(O)CC=CC1.[Al]
InChIInChI=1S/3C4H7O2P.Al/c3*5-7(6)3-1-2-4-7;/h3*1-2H,3-4H2,(H,5,6);
InChIKeyHIHVMSDHTNOHDX-UHFFFAOYSA-N
XLogP2.10
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 10904932 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

1-chloro-2,5-dihydro-1λ5-phosphole 1-oxide
CID 12514986
1-benzyl-2,5-dihydro-1lambda5-phosphole 1-oxide
CID 643541
1,2,3,4,5,6-hexahydroxy-1λ5,2λ5,3λ5,4λ5,5λ5,6λ5-hexaphosphinane 1,2,3,4,5,6-hexaoxide
CID 71369580
2-hydroxy-1,3,6,9,11-pentaoxa-2λ5-phospha-10-phosphoniacyclotetradeca-4,7,12-triene 2,10-dioxide
CID 159688275
3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide
CID 89442214
2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide
CID 18459455
9-hydroxy-9λ5-phosphabicyclo[3.3.1]nonane 9-oxide
CID 171050825
1-methyl-1-oxo-2,3,4,6a-tetrahydrocyclopenta[b]phosphol-3a-ol
CID 13022165
1-benzyl-4-hydroxy-1,4λ5-azaphosphinane 4-oxide
CID 126640116
4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide
CID 71386652
(3S,4S,5R)-2-hydroxy-2-oxo-1,2lambda5-oxaphosphinane-3,4,5-triol
CID 10535473
cyclopropene;urea
CID 175070849

Frequently Asked Questions

What is the IUPAC name of CID 10904932?
The IUPAC name of CID 10904932 (CID 10904932) is not available.
What is the SMILES notation for CID 10904932?
The canonical SMILES for CID 10904932 is O=P1(O)CC=CC1.O=P1(O)CC=CC1.O=P1(O)CC=CC1.[Al].
What is the InChIKey of CID 10904932?
The InChIKey is HIHVMSDHTNOHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H7O2P.Al/c3*5-7(6)3-1-2-4-7;/h3*1-2H,3-4H2,(H,5,6);.
What are the key properties of CID 10904932?
CID 10904932 has a molecular weight of 381.20 g/mol, XLogP of 2.10, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10904932 is sourced from PubChem (CID 10904932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).