1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane

C8H16Cl2O3 — CID 57109764

IUPAC1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane
SMILESCOCC(CCl)OC(CCl)COC
InChIInChI=1S/C8H16Cl2O3/c1-11-5-7(3-9)13-8(4-10)6-12-2/h7-8H,3-6H2,1-2H3
InChIKeyBDMNECHGFFCCFZ-UHFFFAOYSA-N
MW231.12 g/mol
LogP1.51
Rot. Bonds8

About 1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane

1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane (PubChem CID 57109764) has the molecular formula C8H16Cl2O3 and a molecular weight of 231.12 g/mol. Its IUPAC name is 1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane.

Molecular Properties

Compound Name1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane
PubChem CID57109764
Molecular FormulaC8H16Cl2O3
Molecular Weight231.12 g/mol
Exact Mass230.05
IUPAC Name1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane
SMILESCOCC(CCl)OC(CCl)COC
InChIInChI=1S/C8H16Cl2O3/c1-11-5-7(3-9)13-8(4-10)6-12-2/h7-8H,3-6H2,1-2H3
InChIKeyBDMNECHGFFCCFZ-UHFFFAOYSA-N
XLogP1.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane?
The IUPAC name of 1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane (CID 57109764) is 1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane.
What is the SMILES notation for 1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane?
The canonical SMILES for 1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane is COCC(CCl)OC(CCl)COC.
What is the InChIKey of 1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane?
The InChIKey is BDMNECHGFFCCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2O3/c1-11-5-7(3-9)13-8(4-10)6-12-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane?
1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane has a molecular weight of 231.12 g/mol, XLogP of 1.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-chloro-3-methoxypropan-2-yl)oxy-3-methoxypropane is sourced from PubChem (CID 57109764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).