[(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane

C9H18AlCl — CID 16688957

IUPAC[(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane
SMILESC/C(=C\[Al](C)C)CCCCCl
InChIInChI=1S/C7H12Cl.2CH3.Al/c1-7(2)5-3-4-6-8;;;/h1H,3-6H2,2H3;2*1H3;
InChIKeyOLUITHKUNWKOPK-UHFFFAOYSA-N
MW188.68 g/mol
LogP3.64
Rot. Bonds5

About [(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane

[(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane (PubChem CID 16688957) has the molecular formula C9H18AlCl and a molecular weight of 188.68 g/mol. Its IUPAC name is [(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane.

Molecular Properties

Compound Name[(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane
PubChem CID16688957
Molecular FormulaC9H18AlCl
Molecular Weight188.68 g/mol
Exact Mass188.09
IUPAC Name[(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane
SMILESC/C(=C\[Al](C)C)CCCCCl
InChIInChI=1S/C7H12Cl.2CH3.Al/c1-7(2)5-3-4-6-8;;;/h1H,3-6H2,2H3;2*1H3;
InChIKeyOLUITHKUNWKOPK-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol
CID 134895349
(Z)-6-chloro-3-methylhex-2-en-1-ol
CID 55298259
(3Z)-7-chloro-4-methylhepta-1,3-diene
CID 130195022
8-chloro-2-methyloct-1-ene
CID 24721692
12-chlorododecan-2-one
CID 162396741
CID 101056745
CID 101056745
6-chloro-N-methoxyhexanamide
CID 90073847
5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide
CID 43697288
(E,1S)-7-chloro-3-methyl-1-[4-(trifluoromethyl)phenyl]hept-2-en-1-ol
CID 122212966
chloromethane;11-chloroundecanoic acid
CID 162366476
1,6-dichloro-2-fluorohex-1-ene
CID 148546349
2,6-dichlorohex-1-ene
CID 13050386

Frequently Asked Questions

What is the IUPAC name of [(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane?
The IUPAC name of [(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane (CID 16688957) is [(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane.
What is the SMILES notation for [(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane?
The canonical SMILES for [(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane is C/C(=C\[Al](C)C)CCCCCl.
What is the InChIKey of [(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane?
The InChIKey is OLUITHKUNWKOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl.2CH3.Al/c1-7(2)5-3-4-6-8;;;/h1H,3-6H2,2H3;2*1H3;.
What are the key properties of [(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane?
[(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane has a molecular weight of 188.68 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane is sourced from PubChem (CID 16688957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).