6-methylhept-3-enoxy-bis(2-methylpropyl)alumane

C16H33AlO — CID 73307697

IUPAC6-methylhept-3-enoxy-bis(2-methylpropyl)alumane
SMILESCC(C)CC=CCCO[Al](CC(C)C)CC(C)C
InChIInChI=1S/C8H15O.2C4H9.Al/c1-8(2)6-4-3-5-7-9;2*1-4(2)3;/h3-4,8H,5-7H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyVEPXDOWYZYVTMC-UHFFFAOYSA-N
MW268.42 g/mol
LogP5.30
Rot. Bonds10

About 6-methylhept-3-enoxy-bis(2-methylpropyl)alumane

6-methylhept-3-enoxy-bis(2-methylpropyl)alumane (PubChem CID 73307697) has the molecular formula C16H33AlO and a molecular weight of 268.42 g/mol. Its IUPAC name is 6-methylhept-3-enoxy-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Name6-methylhept-3-enoxy-bis(2-methylpropyl)alumane
PubChem CID73307697
Molecular FormulaC16H33AlO
Molecular Weight268.42 g/mol
Exact Mass268.23
IUPAC Name6-methylhept-3-enoxy-bis(2-methylpropyl)alumane
SMILESCC(C)CC=CCCO[Al](CC(C)C)CC(C)C
InChIInChI=1S/C8H15O.2C4H9.Al/c1-8(2)6-4-3-5-7-9;2*1-4(2)3;/h3-4,8H,5-7H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyVEPXDOWYZYVTMC-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.42
LogP ≤ 55.30
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

2,8-dimethylnon-4-ene
CID 54058844
1-bromo-6-methylhept-3-ene
CID 79006953
10-methylundeca-3,7-diene
CID 91333064
(E)-7-methyl-1-(2-methylpropoxy)oct-4-ene
CID 58462565
diethyl-[(Z)-hex-3-enoxy]alumane
CID 16684144
8-methylnona-1,5-diene
CID 54303226
(E)-2,8,8,10-tetramethylundec-4-ene
CID 59408864
8-methylnona-1,5-diene;2-methylprop-1-ene
CID 173298827
(E)-2-methyldec-4-ene
CID 5364887
dibutyl(oct-3-enoxy)alumane
CID 73307698
2,13-dimethyltetradec-4-ene
CID 139930710
(4E,14E)-2-methylnonadeca-4,14-diene
CID 177270218

Frequently Asked Questions

What is the IUPAC name of 6-methylhept-3-enoxy-bis(2-methylpropyl)alumane?
The IUPAC name of 6-methylhept-3-enoxy-bis(2-methylpropyl)alumane (CID 73307697) is 6-methylhept-3-enoxy-bis(2-methylpropyl)alumane.
What is the SMILES notation for 6-methylhept-3-enoxy-bis(2-methylpropyl)alumane?
The canonical SMILES for 6-methylhept-3-enoxy-bis(2-methylpropyl)alumane is CC(C)CC=CCCO[Al](CC(C)C)CC(C)C.
What is the InChIKey of 6-methylhept-3-enoxy-bis(2-methylpropyl)alumane?
The InChIKey is VEPXDOWYZYVTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O.2C4H9.Al/c1-8(2)6-4-3-5-7-9;2*1-4(2)3;/h3-4,8H,5-7H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of 6-methylhept-3-enoxy-bis(2-methylpropyl)alumane?
6-methylhept-3-enoxy-bis(2-methylpropyl)alumane has a molecular weight of 268.42 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-3-enoxy-bis(2-methylpropyl)alumane is sourced from PubChem (CID 73307697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).