(1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid

C7H11AlO4P2+2 — CID 175786929

IUPAC(1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid
SMILESCC1([Al+2])C=CC=CC1.O=PO.O=PO
InChIInChI=1S/C7H9.Al.2HO2P/c1-7-5-3-2-4-6-7;;2*1-3-2/h2-5H,6H2,1H3;;2*(H,1,2)/q;+2;;
InChIKeyLPUVNWNBPFGEJG-UHFFFAOYSA-N
MW248.09 g/mol
LogP2.22
Rot. Bonds

About (1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid

(1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid (PubChem CID 175786929) has the molecular formula C7H11AlO4P2+2 and a molecular weight of 248.09 g/mol. Its IUPAC name is (1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid.

Molecular Properties

Compound Name(1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid
PubChem CID175786929
Molecular FormulaC7H11AlO4P2+2
Molecular Weight248.09 g/mol
Exact Mass247.99
IUPAC Name(1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid
SMILESCC1([Al+2])C=CC=CC1.O=PO.O=PO
InChIInChI=1S/C7H9.Al.2HO2P/c1-7-5-3-2-4-6-7;;2*1-3-2/h2-5H,6H2,1H3;;2*(H,1,2)/q;+2;;
InChIKeyLPUVNWNBPFGEJG-UHFFFAOYSA-N
XLogP2.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 52.22
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

hydroxy-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-oxophosphanium
CID 155672201
CID 163995556
CID 163995556
(1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 141138802
(1S,7S)-8,8-dibromo-1,7-dimethylbicyclo[5.1.0]octa-2,4-diene
CID 98624826
spiro[4.5]deca-1,3,7,9-tetraene
CID 59741992
dimethyl cyclohexa-2,4-diene-1,1-dicarboxylate
CID 12865894
(1-methylcyclohexa-2,4-dien-1-yl)hydrazine
CID 66545334
1-[2-(1-hydroxycyclohexa-2,4-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol
CID 18921248
cyclopentene;5,5-dimethylcyclohexa-1,3-diene
CID 173137560
(E)-3-(1-methylcyclohexa-2,4-dien-1-yl)prop-2-enal
CID 87989743
(1-acetylcyclohexa-2,4-dien-1-yl)boronic acid
CID 142702865
1-[1-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]ethanone
CID 141023556

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid?
The IUPAC name of (1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid (CID 175786929) is (1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid.
What is the SMILES notation for (1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid?
The canonical SMILES for (1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid is CC1([Al+2])C=CC=CC1.O=PO.O=PO.
What is the InChIKey of (1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid?
The InChIKey is LPUVNWNBPFGEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9.Al.2HO2P/c1-7-5-3-2-4-6-7;;2*1-3-2/h2-5H,6H2,1H3;;2*(H,1,2)/q;+2;;.
What are the key properties of (1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid?
(1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid has a molecular weight of 248.09 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexa-2,4-dien-1-yl)aluminum(2+);phosphenous acid is sourced from PubChem (CID 175786929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).