[(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane

C9H19AlO — CID 134905939

IUPAC[(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane
SMILESC/C(=C/C(C)(C)C)O[Al](C)C
InChIInChI=1S/C7H14O.2CH3.Al/c1-6(8)5-7(2,3)4;;;/h5,8H,1-4H3;2*1H3;/q;;;+1/p-1/b6-5-;;;
InChIKeyZPHSQJSLWLKSQH-WTUPQPTJSA-M
MW170.23 g/mol
LogP3.20
Rot. Bonds2

About [(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane

[(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane (PubChem CID 134905939) has the molecular formula C9H19AlO and a molecular weight of 170.23 g/mol. Its IUPAC name is [(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane.

Molecular Properties

Compound Name[(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane
PubChem CID134905939
Molecular FormulaC9H19AlO
Molecular Weight170.23 g/mol
Exact Mass170.13
IUPAC Name[(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane
SMILESC/C(=C/C(C)(C)C)O[Al](C)C
InChIInChI=1S/C7H14O.2CH3.Al/c1-6(8)5-7(2,3)4;;;/h5,8H,1-4H3;2*1H3;/q;;;+1/p-1/b6-5-;;;
InChIKeyZPHSQJSLWLKSQH-WTUPQPTJSA-M
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E,5S)-2,2,4,5,6,6-hexamethylhept-3-ene
CID 59026949
1,1-difluoro-3,3-dimethylbut-1-ene
CID 11542776
(Z)-2,2,3,5,5-pentamethylhex-3-ene
CID 22966710
trimethyl-[(2E,6E)-4,4,5,5-tetramethyl-7-trimethylsilyloxyocta-2,6-dien-2-yl]oxysilane
CID 11371297
(E)-2,2,4-trimethylhex-3-ene
CID 5365974
[(Z)-4,4-dimethylpent-2-en-2-yl]-trifluoroboranuide
CID 125180328
(4E)-4,6,6-trimethylhepta-2,4-diene
CID 177420463
(Z)-2-isocyano-4,4-dimethylpent-2-ene
CID 88856835
4,4-dimethyl-2-phosphorosopent-2-ene
CID 57008494
2,4,4-trimethylpent-2-en-1-amine
CID 79330157
(E)-2,2,4,6,6-pentamethylhept-3-ene
CID 5365103
lithium (E)-1-methoxy-3,3-dimethylbut-1-en-1-olate
CID 23691907

Frequently Asked Questions

What is the IUPAC name of [(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane?
The IUPAC name of [(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane (CID 134905939) is [(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane.
What is the SMILES notation for [(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane?
The canonical SMILES for [(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane is C/C(=C/C(C)(C)C)O[Al](C)C.
What is the InChIKey of [(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane?
The InChIKey is ZPHSQJSLWLKSQH-WTUPQPTJSA-M. The full InChI is InChI=1S/C7H14O.2CH3.Al/c1-6(8)5-7(2,3)4;;;/h5,8H,1-4H3;2*1H3;/q;;;+1/p-1/b6-5-;;;.
What are the key properties of [(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane?
[(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane has a molecular weight of 170.23 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4,4-dimethylpent-2-en-2-yl]oxy-dimethylalumane is sourced from PubChem (CID 134905939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).