1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane

C10H20Cl2O — CID 106459785

IUPAC1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane
SMILESCC(C)COCCC(C)(CCl)CCl
InChIInChI=1S/C10H20Cl2O/c1-9(2)6-13-5-4-10(3,7-11)8-12/h9H,4-8H2,1-3H3
InChIKeyDGVQCYWIOFNTIX-UHFFFAOYSA-N
MW227.17 g/mol
LogP3.53
Rot. Bonds7

About 1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane

1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane (PubChem CID 106459785) has the molecular formula C10H20Cl2O and a molecular weight of 227.17 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane
PubChem CID106459785
Molecular FormulaC10H20Cl2O
Molecular Weight227.17 g/mol
Exact Mass226.09
IUPAC Name1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane
SMILESCC(C)COCCC(C)(CCl)CCl
InChIInChI=1S/C10H20Cl2O/c1-9(2)6-13-5-4-10(3,7-11)8-12/h9H,4-8H2,1-3H3
InChIKeyDGVQCYWIOFNTIX-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[1-chloro-2-methyl-4-(2-methylpropoxy)butan-2-yl]cyclopropane
CID 106459706
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-ol
CID 106459431
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2-methylpropoxy)butan-1-amine
CID 106456931
N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
CID 106456865
2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid
CID 106454883
2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448821
2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106456797
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
CID 162031327
10,10-dimethyl-1-(2-methylpropoxy)undecane
CID 151746454
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine
CID 106456863

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane?
The IUPAC name of 1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane (CID 106459785) is 1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane.
What is the SMILES notation for 1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane?
The canonical SMILES for 1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane is CC(C)COCCC(C)(CCl)CCl.
What is the InChIKey of 1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane?
The InChIKey is DGVQCYWIOFNTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2O/c1-9(2)6-13-5-4-10(3,7-11)8-12/h9H,4-8H2,1-3H3.
What are the key properties of 1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane?
1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane has a molecular weight of 227.17 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane is sourced from PubChem (CID 106459785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).