dibutyl(oct-3-enoxy)alumane

C16H33AlO — CID 73307698

IUPACdibutyl(oct-3-enoxy)alumane
SMILESCCCCC=CCCO[Al](CCCC)CCCC
InChIInChI=1S/C8H15O.2C4H9.Al/c1-2-3-4-5-6-7-8-9;2*1-3-4-2;/h5-6H,2-4,7-8H2,1H3;2*1,3-4H2,2H3;/q-1;;;+1
InChIKeyKXNLGIZQFVRAQK-UHFFFAOYSA-N
MW268.42 g/mol
LogP5.73
Rot. Bonds13

About dibutyl(oct-3-enoxy)alumane

dibutyl(oct-3-enoxy)alumane (PubChem CID 73307698) has the molecular formula C16H33AlO and a molecular weight of 268.42 g/mol. Its IUPAC name is dibutyl(oct-3-enoxy)alumane.

Molecular Properties

Compound Namedibutyl(oct-3-enoxy)alumane
PubChem CID73307698
Molecular FormulaC16H33AlO
Molecular Weight268.42 g/mol
Exact Mass268.23
IUPAC Namedibutyl(oct-3-enoxy)alumane
SMILESCCCCC=CCCO[Al](CCCC)CCCC
InChIInChI=1S/C8H15O.2C4H9.Al/c1-2-3-4-5-6-7-8-9;2*1-3-4-2;/h5-6H,2-4,7-8H2,1H3;2*1,3-4H2,2H3;/q-1;;;+1
InChIKeyKXNLGIZQFVRAQK-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.42
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dec-5-ene;trihydrobromide
CID 175802238
(Z)-1-methoxynon-4-ene
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(4E,9Z)-tetradeca-4,9-diene
CID 152732976
pentadeca-4,10-diene
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docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
1-hydroperoxydec-5-ene
CID 91009595
heptadeca-5,9-diene
CID 123203573
(3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene
CID 164728509
[(Z)-oct-3-enyl] propanoate
CID 20836326
methane;(5Z,8Z,11Z,14Z)-nonadeca-5,8,11,14-tetraene
CID 159218033
(5E,9E)-nonacosa-5,9-diene
CID 56936191

Frequently Asked Questions

What is the IUPAC name of dibutyl(oct-3-enoxy)alumane?
The IUPAC name of dibutyl(oct-3-enoxy)alumane (CID 73307698) is dibutyl(oct-3-enoxy)alumane.
What is the SMILES notation for dibutyl(oct-3-enoxy)alumane?
The canonical SMILES for dibutyl(oct-3-enoxy)alumane is CCCCC=CCCO[Al](CCCC)CCCC.
What is the InChIKey of dibutyl(oct-3-enoxy)alumane?
The InChIKey is KXNLGIZQFVRAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O.2C4H9.Al/c1-2-3-4-5-6-7-8-9;2*1-3-4-2;/h5-6H,2-4,7-8H2,1H3;2*1,3-4H2,2H3;/q-1;;;+1.
What are the key properties of dibutyl(oct-3-enoxy)alumane?
dibutyl(oct-3-enoxy)alumane has a molecular weight of 268.42 g/mol, XLogP of 5.73, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(oct-3-enoxy)alumane is sourced from PubChem (CID 73307698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).