hex-1-ynyl-bis(2-methylpropyl)alumane

C14H27Al — CID 86185013

IUPAChex-1-ynyl-bis(2-methylpropyl)alumane
SMILESCCCCC#C[Al](CC(C)C)CC(C)C
InChIInChI=1S/C6H9.2C4H9.Al/c1-3-5-6-4-2;2*1-4(2)3;/h3,5-6H2,1H3;2*4H,1H2,2-3H3;
InChIKeyHJWWWAFCIFKJAJ-UHFFFAOYSA-N
MW222.35 g/mol
LogP4.53
Rot. Bonds6

About hex-1-ynyl-bis(2-methylpropyl)alumane

hex-1-ynyl-bis(2-methylpropyl)alumane (PubChem CID 86185013) has the molecular formula C14H27Al and a molecular weight of 222.35 g/mol. Its IUPAC name is hex-1-ynyl-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Namehex-1-ynyl-bis(2-methylpropyl)alumane
PubChem CID86185013
Molecular FormulaC14H27Al
Molecular Weight222.35 g/mol
Exact Mass222.19
IUPAC Namehex-1-ynyl-bis(2-methylpropyl)alumane
SMILESCCCCC#C[Al](CC(C)C)CC(C)C
InChIInChI=1S/C6H9.2C4H9.Al/c1-3-5-6-4-2;2*1-4(2)3;/h3,5-6H2,1H3;2*4H,1H2,2-3H3;
InChIKeyHJWWWAFCIFKJAJ-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pentadeca-5,10-diyne
CID 15530767
diethyl(hex-1-ynyl)gallane
CID 177419145
tetradeca-4,9-diyne
CID 173328648
9-methyltridec-5-yne
CID 22224124
2-methyldeca-3,5-diyne
CID 10510996
2-methyldec-5-yn-2-ol
CID 135039864
chloro-bis(2-methylpropyl)alumane;hexane
CID 174808933
trimethyl-[(2R)-oct-3-yn-2-yl]stannane
CID 15532108
7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
lithium butyl-bis(2-methylpropyl)alumane
CID 16714974
(Hex-1-yn-1-yl)silane
CID 13112953
hex-1-yn-1-amine
CID 15451863

Frequently Asked Questions

What is the IUPAC name of hex-1-ynyl-bis(2-methylpropyl)alumane?
The IUPAC name of hex-1-ynyl-bis(2-methylpropyl)alumane (CID 86185013) is hex-1-ynyl-bis(2-methylpropyl)alumane.
What is the SMILES notation for hex-1-ynyl-bis(2-methylpropyl)alumane?
The canonical SMILES for hex-1-ynyl-bis(2-methylpropyl)alumane is CCCCC#C[Al](CC(C)C)CC(C)C.
What is the InChIKey of hex-1-ynyl-bis(2-methylpropyl)alumane?
The InChIKey is HJWWWAFCIFKJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9.2C4H9.Al/c1-3-5-6-4-2;2*1-4(2)3;/h3,5-6H2,1H3;2*4H,1H2,2-3H3;.
What are the key properties of hex-1-ynyl-bis(2-methylpropyl)alumane?
hex-1-ynyl-bis(2-methylpropyl)alumane has a molecular weight of 222.35 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ynyl-bis(2-methylpropyl)alumane is sourced from PubChem (CID 86185013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).