CID 134992480

C12H28Al2CaO4 — CID 134992480

IUPAC—
SMILESCC(C)O[Al-]OC(C)C.CC(C)O[Al-]OC(C)C.[Ca+2]
InChIInChI=1S/4C3H7O.2Al.Ca/c4*1-3(2)4;;;/h4*3H,1-2H3;;;/q4*-1;2*+1;+2
InChIKeyBDIAIFFQMSHYSD-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.36
Rot. Bonds8

About CID 134992480

CID 134992480 (PubChem CID 134992480) has the molecular formula C12H28Al2CaO4 and a molecular weight of 330.39 g/mol.

Molecular Properties

Compound NameCID 134992480
PubChem CID134992480
Molecular FormulaC12H28Al2CaO4
Molecular Weight330.39 g/mol
Exact Mass330.12
IUPAC Name—
SMILESCC(C)O[Al-]OC(C)C.CC(C)O[Al-]OC(C)C.[Ca+2]
InChIInChI=1S/4C3H7O.2Al.Ca/c4*1-3(2)4;;;/h4*3H,1-2H3;;;/q4*-1;2*+1;+2
InChIKeyBDIAIFFQMSHYSD-UHFFFAOYSA-N
XLogP2.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bis(butan-2-olato)(triethyl orthosilicato-O''')aluminium
CID 16684138
Magnesium aluminum isopropoxide
CID 129651214
Aluminium diisopropylate
CID 129678313
Magnesium aluminium s-butoxide
CID 141756143
Bis(s-butoxy)aluminoxy-triethoxysilane
CID 129800746
Barium aluminium isopropoxide
CID 129817439
Calcium bis(dihydrobis(propan-2-olato)aluminate)
CID 91666546
Tetra(propan-2-yloxy)alumanuide
CID 16689582
Calcium bis(tetra(propan-2-yloxy)alumanuide)
CID 16715765
Aluminum;calcium;pentakis(propan-2-olate)
CID 22590940
Tributoxyalumane;tri(propan-2-yloxy)alumane
CID 87351592
CID 141723243
CID 141723243

Frequently Asked Questions

What is the IUPAC name of CID 134992480?
The IUPAC name of CID 134992480 (CID 134992480) is not available.
What is the SMILES notation for CID 134992480?
The canonical SMILES for CID 134992480 is CC(C)O[Al-]OC(C)C.CC(C)O[Al-]OC(C)C.[Ca+2].
What is the InChIKey of CID 134992480?
The InChIKey is BDIAIFFQMSHYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H7O.2Al.Ca/c4*1-3(2)4;;;/h4*3H,1-2H3;;;/q4*-1;2*+1;+2.
What are the key properties of CID 134992480?
CID 134992480 has a molecular weight of 330.39 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134992480 is sourced from PubChem (CID 134992480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).