alumane;1,1-dichloro-2-methylpropane

C4H11AlCl2 — CID 173060987

IUPACalumane;1,1-dichloro-2-methylpropane
SMILESCC(C)C(Cl)Cl.[AlH3]
InChIInChI=1S/C4H8Cl2.Al.3H/c1-3(2)4(5)6;;;;/h3-4H,1-2H3;;;;
InChIKeyNMFUBRJJTLLEBU-UHFFFAOYSA-N
MW157.02 g/mol
LogP1.26
Rot. Bonds1

About alumane;1,1-dichloro-2-methylpropane

alumane;1,1-dichloro-2-methylpropane (PubChem CID 173060987) has the molecular formula C4H11AlCl2 and a molecular weight of 157.02 g/mol. Its IUPAC name is alumane;1,1-dichloro-2-methylpropane.

Molecular Properties

Compound Namealumane;1,1-dichloro-2-methylpropane
PubChem CID173060987
Molecular FormulaC4H11AlCl2
Molecular Weight157.02 g/mol
Exact Mass156.01
IUPAC Namealumane;1,1-dichloro-2-methylpropane
SMILESCC(C)C(Cl)Cl.[AlH3]
InChIInChI=1S/C4H8Cl2.Al.3H/c1-3(2)4(5)6;;;;/h3-4H,1-2H3;;;;
InChIKeyNMFUBRJJTLLEBU-UHFFFAOYSA-N
XLogP1.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.02
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloro(trimethyl)phosphanium
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magnesium;2-chloropropane;dichloride
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lithium;magnesium;2-chloropropane;trichloride
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bromo-chloro-dimethylphosphanium
CID 23415191
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
dichloro-methyl-sulfanylphosphanium
CID 88580697
(1R)-1-bromo-1-chloroethane
CID 96570687
2,4-dichloro-3-methylpentane
CID 89169064
chloroform;propan-2-ol
CID 173195035
lithium;magnesium;2-chloropropane;hydride;dichloride
CID 175456909
1,1-dichloroethane;trichlorosilane
CID 173310678

Frequently Asked Questions

What is the IUPAC name of alumane;1,1-dichloro-2-methylpropane?
The IUPAC name of alumane;1,1-dichloro-2-methylpropane (CID 173060987) is alumane;1,1-dichloro-2-methylpropane.
What is the SMILES notation for alumane;1,1-dichloro-2-methylpropane?
The canonical SMILES for alumane;1,1-dichloro-2-methylpropane is CC(C)C(Cl)Cl.[AlH3].
What is the InChIKey of alumane;1,1-dichloro-2-methylpropane?
The InChIKey is NMFUBRJJTLLEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2.Al.3H/c1-3(2)4(5)6;;;;/h3-4H,1-2H3;;;;.
What are the key properties of alumane;1,1-dichloro-2-methylpropane?
alumane;1,1-dichloro-2-methylpropane has a molecular weight of 157.02 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;1,1-dichloro-2-methylpropane is sourced from PubChem (CID 173060987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).