2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane

C15H32Al2O — CID 175095632

IUPAC2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane
SMILESC=CCC1OC1C.C=CC[AlH2].CC[Al](CC)CC
InChIInChI=1S/C6H10O.C3H5.3C2H5.2Al.2H/c1-3-4-6-5(2)7-6;1-3-2;3*1-2;;;;/h3,5-6H,1,4H2,2H3;3H,1-2H2;3*1H2,2H3;;;;
InChIKeyXQRDMRDQQVHISQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.11
Rot. Bonds6

About 2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane

2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane (PubChem CID 175095632) has the molecular formula C15H32Al2O and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane.

Molecular Properties

Compound Name2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane
PubChem CID175095632
Molecular FormulaC15H32Al2O
Molecular Weight282.38 g/mol
Exact Mass282.21
IUPAC Name2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane
SMILESC=CCC1OC1C.C=CC[AlH2].CC[Al](CC)CC
InChIInChI=1S/C6H10O.C3H5.3C2H5.2Al.2H/c1-3-4-6-5(2)7-6;1-3-2;3*1-2;;;;/h3,5-6H,1,4H2,2H3;3H,1-2H2;3*1H2,2H3;;;;
InChIKeyXQRDMRDQQVHISQ-UHFFFAOYSA-N
XLogP4.11
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane?
The IUPAC name of 2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane (CID 175095632) is 2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane.
What is the SMILES notation for 2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane?
The canonical SMILES for 2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane is C=CCC1OC1C.C=CC[AlH2].CC[Al](CC)CC.
What is the InChIKey of 2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane?
The InChIKey is XQRDMRDQQVHISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C3H5.3C2H5.2Al.2H/c1-3-4-6-5(2)7-6;1-3-2;3*1-2;;;;/h3,5-6H,1,4H2,2H3;3H,1-2H2;3*1H2,2H3;;;;.
What are the key properties of 2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane?
2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane has a molecular weight of 282.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enyloxirane;prop-2-enylalumane;triethylalumane is sourced from PubChem (CID 175095632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).