1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane

C10H23ClO3 — CID 18952740

IUPAC1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane
SMILESCC(C)CCl.COCCOCCOC
InChIInChI=1S/C6H14O3.C4H9Cl/c1-7-3-5-9-6-4-8-2;1-4(2)3-5/h3-6H2,1-2H3;4H,3H2,1-2H3
InChIKeyKWQHFBAJPIYEIC-UHFFFAOYSA-N
MW226.74 g/mol
LogP2.18
Rot. Bonds7

About 1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane

1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane (PubChem CID 18952740) has the molecular formula C10H23ClO3 and a molecular weight of 226.74 g/mol. Its IUPAC name is 1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane.

Molecular Properties

Compound Name1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane
PubChem CID18952740
Molecular FormulaC10H23ClO3
Molecular Weight226.74 g/mol
Exact Mass226.13
IUPAC Name1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane
SMILESCC(C)CCl.COCCOCCOC
InChIInChI=1S/C6H14O3.C4H9Cl/c1-7-3-5-9-6-4-8-2;1-4(2)3-5/h3-6H2,1-2H3;4H,3H2,1-2H3
InChIKeyKWQHFBAJPIYEIC-UHFFFAOYSA-N
XLogP2.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.74
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane?
The IUPAC name of 1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane (CID 18952740) is 1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane.
What is the SMILES notation for 1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane?
The canonical SMILES for 1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane is CC(C)CCl.COCCOCCOC.
What is the InChIKey of 1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane?
The InChIKey is KWQHFBAJPIYEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C4H9Cl/c1-7-3-5-9-6-4-8-2;1-4(2)3-5/h3-6H2,1-2H3;4H,3H2,1-2H3.
What are the key properties of 1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane?
1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane has a molecular weight of 226.74 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylpropane;1-methoxy-2-(2-methoxyethoxy)ethane is sourced from PubChem (CID 18952740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).