CID 87591200

C6H14AlKO4 — CID 87591200

IUPAC—
SMILESCOCCO[Al]OCCOC.[K]
InChIInChI=1S/2C3H7O2.Al.K/c2*1-5-3-2-4;;/h2*2-3H2,1H3;;/q2*-1;+2;
InChIKeyKMNWFKDLYWMUAI-UHFFFAOYSA-N
MW216.25 g/mol
LogP-0.53
Rot. Bonds8

About CID 87591200

CID 87591200 (PubChem CID 87591200) has the molecular formula C6H14AlKO4 and a molecular weight of 216.25 g/mol.

Molecular Properties

Compound NameCID 87591200
PubChem CID87591200
Molecular FormulaC6H14AlKO4
Molecular Weight216.25 g/mol
Exact Mass216.03
IUPAC Name—
SMILESCOCCO[Al]OCCOC.[K]
InChIInChI=1S/2C3H7O2.Al.K/c2*1-5-3-2-4;;/h2*2-3H2,1H3;;/q2*-1;+2;
InChIKeyKMNWFKDLYWMUAI-UHFFFAOYSA-N
XLogP-0.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 16688488
CID 16688488
CID 173017459
CID 173017459
1,2-dimethoxyethane;niobium;hydrochloride
CID 88933065
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
magnesium;1,2-dimethoxyethane;dichloride
CID 174702876
azane;1,2-dimethoxyethane;hydrochloride
CID 175079035
1,2-dimethoxyethane;nickel(2+);dichloride
CID 22904217
barium(2+);1,2-dimethoxyethane;dibromide
CID 173394585
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;N-methylmethanamine
CID 175177446
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962

Frequently Asked Questions

What is the IUPAC name of CID 87591200?
The IUPAC name of CID 87591200 (CID 87591200) is not available.
What is the SMILES notation for CID 87591200?
The canonical SMILES for CID 87591200 is COCCO[Al]OCCOC.[K].
What is the InChIKey of CID 87591200?
The InChIKey is KMNWFKDLYWMUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O2.Al.K/c2*1-5-3-2-4;;/h2*2-3H2,1H3;;/q2*-1;+2;.
What are the key properties of CID 87591200?
CID 87591200 has a molecular weight of 216.25 g/mol, XLogP of -0.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87591200 is sourced from PubChem (CID 87591200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).