dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane

C12H23AlO — CID 134890676

IUPACdimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane
SMILESCCCC(C#C[Al](C)C)OC(C)(C)C
InChIInChI=1S/C10H17O.2CH3.Al/c1-6-8-9(7-2)11-10(3,4)5;;;/h9H,6,8H2,1,3-5H3;2*1H3;
InChIKeyASNVMZPSDKYKNS-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.27
Rot. Bonds3

About dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane

dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane (PubChem CID 134890676) has the molecular formula C12H23AlO and a molecular weight of 210.30 g/mol. Its IUPAC name is dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane.

Molecular Properties

Compound Namedimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane
PubChem CID134890676
Molecular FormulaC12H23AlO
Molecular Weight210.30 g/mol
Exact Mass210.16
IUPAC Namedimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane
SMILESCCCC(C#C[Al](C)C)OC(C)(C)C
InChIInChI=1S/C10H17O.2CH3.Al/c1-6-8-9(7-2)11-10(3,4)5;;;/h9H,6,8H2,1,3-5H3;2*1H3;
InChIKeyASNVMZPSDKYKNS-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane?
The IUPAC name of dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane (CID 134890676) is dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane.
What is the SMILES notation for dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane?
The canonical SMILES for dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane is CCCC(C#C[Al](C)C)OC(C)(C)C.
What is the InChIKey of dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane?
The InChIKey is ASNVMZPSDKYKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O.2CH3.Al/c1-6-8-9(7-2)11-10(3,4)5;;;/h9H,6,8H2,1,3-5H3;2*1H3;.
What are the key properties of dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane?
dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane has a molecular weight of 210.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[(2-methylpropan-2-yl)oxy]hex-1-ynyl]alumane is sourced from PubChem (CID 134890676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).