tetrakis(prop-2-enoate);tin(4+);trihexylalumane

C30H51AlO8Sn — CID 174668720

IUPACtetrakis(prop-2-enoate);tin(4+);trihexylalumane
SMILESC=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].CCCCCC[Al](CCCCCC)CCCCCC.[Sn+4]
InChIInChI=1S/3C6H13.4C3H4O2.Al.Sn/c3*1-3-5-6-4-2;4*1-2-3(4)5;;/h3*1,3-6H2,2H3;4*2H,1H2,(H,4,5);;/q;;;;;;;;+4/p-4
InChIKeyCTLAIVRYDBRMLC-UHFFFAOYSA-J
MW685.42 g/mol
LogP2.53
Rot. Bonds19

About tetrakis(prop-2-enoate);tin(4+);trihexylalumane

tetrakis(prop-2-enoate);tin(4+);trihexylalumane (PubChem CID 174668720) has the molecular formula C30H51AlO8Sn and a molecular weight of 685.42 g/mol. Its IUPAC name is tetrakis(prop-2-enoate);tin(4+);trihexylalumane.

Molecular Properties

Compound Nametetrakis(prop-2-enoate);tin(4+);trihexylalumane
PubChem CID174668720
Molecular FormulaC30H51AlO8Sn
Molecular Weight685.42 g/mol
Exact Mass686.24
IUPAC Nametetrakis(prop-2-enoate);tin(4+);trihexylalumane
SMILESC=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].CCCCCC[Al](CCCCCC)CCCCCC.[Sn+4]
InChIInChI=1S/3C6H13.4C3H4O2.Al.Sn/c3*1-3-5-6-4-2;4*1-2-3(4)5;;/h3*1,3-6H2,2H3;4*2H,1H2,(H,4,5);;/q;;;;;;;;+4/p-4
InChIKeyCTLAIVRYDBRMLC-UHFFFAOYSA-J
XLogP2.53
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500685.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(octan-1-ol);bis(prop-2-enoate);zirconium(2+)
CID 159808494
copper(1+);octadecanoate;prop-2-enoate
CID 22987501
magnesium;octadecanoate;prop-2-enoate
CID 22987518
zinc;nonanoate;prop-2-enoate
CID 161232725
heptane;trihexylalumane
CID 22011139
oct-7-enyl(dioctyl)alumane
CID 164808978
butan-1-amine;prop-2-enoate
CID 21324935
heptadecane;prop-2-enoic acid
CID 158681422
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512
disodium;N-[2-(dodecanoylamino)ethyl]dodecanamide;bis(prop-2-enoate)
CID 175790751
bis(2-methylprop-2-enoate);prop-2-enoate;tris(tributylstannanylium)
CID 173422883
triethylalumane;trioctylalumane
CID 158774524

Frequently Asked Questions

What is the IUPAC name of tetrakis(prop-2-enoate);tin(4+);trihexylalumane?
The IUPAC name of tetrakis(prop-2-enoate);tin(4+);trihexylalumane (CID 174668720) is tetrakis(prop-2-enoate);tin(4+);trihexylalumane.
What is the SMILES notation for tetrakis(prop-2-enoate);tin(4+);trihexylalumane?
The canonical SMILES for tetrakis(prop-2-enoate);tin(4+);trihexylalumane is C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].CCCCCC[Al](CCCCCC)CCCCCC.[Sn+4].
What is the InChIKey of tetrakis(prop-2-enoate);tin(4+);trihexylalumane?
The InChIKey is CTLAIVRYDBRMLC-UHFFFAOYSA-J. The full InChI is InChI=1S/3C6H13.4C3H4O2.Al.Sn/c3*1-3-5-6-4-2;4*1-2-3(4)5;;/h3*1,3-6H2,2H3;4*2H,1H2,(H,4,5);;/q;;;;;;;;+4/p-4.
What are the key properties of tetrakis(prop-2-enoate);tin(4+);trihexylalumane?
tetrakis(prop-2-enoate);tin(4+);trihexylalumane has a molecular weight of 685.42 g/mol, XLogP of 2.53, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(prop-2-enoate);tin(4+);trihexylalumane is sourced from PubChem (CID 174668720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).