1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane

C8H17ClO3 — CID 158750835

IUPAC1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane
SMILESCOCOC(C)COC(C)CCl
InChIInChI=1S/C8H17ClO3/c1-7(4-9)11-5-8(2)12-6-10-3/h7-8H,4-6H2,1-3H3
InChIKeyINLOOTXHQCDRLC-UHFFFAOYSA-N
MW196.67 g/mol
LogP1.64
Rot. Bonds7

About 1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane

1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane (PubChem CID 158750835) has the molecular formula C8H17ClO3 and a molecular weight of 196.67 g/mol. Its IUPAC name is 1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane.

Molecular Properties

Compound Name1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane
PubChem CID158750835
Molecular FormulaC8H17ClO3
Molecular Weight196.67 g/mol
Exact Mass196.09
IUPAC Name1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane
SMILESCOCOC(C)COC(C)CCl
InChIInChI=1S/C8H17ClO3/c1-7(4-9)11-5-8(2)12-6-10-3/h7-8H,4-6H2,1-3H3
InChIKeyINLOOTXHQCDRLC-UHFFFAOYSA-N
XLogP1.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.67
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane?
The IUPAC name of 1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane (CID 158750835) is 1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane.
What is the SMILES notation for 1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane?
The canonical SMILES for 1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane is COCOC(C)COC(C)CCl.
What is the InChIKey of 1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane?
The InChIKey is INLOOTXHQCDRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO3/c1-7(4-9)11-5-8(2)12-6-10-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane?
1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane has a molecular weight of 196.67 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane is sourced from PubChem (CID 158750835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).