2-(chloromethoxy)-1-methoxypropane

C5H11ClO2 — CID 79529090

IUPAC2-(chloromethoxy)-1-methoxypropane
SMILESCOCC(C)OCCl
InChIInChI=1S/C5H11ClO2/c1-5(3-7-2)8-4-6/h5H,3-4H2,1-2H3
InChIKeySOBDTEVXJFKCDJ-UHFFFAOYSA-N
MW138.59 g/mol
LogP1.23
Rot. Bonds4

About 2-(chloromethoxy)-1-methoxypropane

2-(chloromethoxy)-1-methoxypropane (PubChem CID 79529090) has the molecular formula C5H11ClO2 and a molecular weight of 138.59 g/mol. Its IUPAC name is 2-(chloromethoxy)-1-methoxypropane.

Molecular Properties

Compound Name2-(chloromethoxy)-1-methoxypropane
PubChem CID79529090
Molecular FormulaC5H11ClO2
Molecular Weight138.59 g/mol
Exact Mass138.04
IUPAC Name2-(chloromethoxy)-1-methoxypropane
SMILESCOCC(C)OCCl
InChIInChI=1S/C5H11ClO2/c1-5(3-7-2)8-4-6/h5H,3-4H2,1-2H3
InChIKeySOBDTEVXJFKCDJ-UHFFFAOYSA-N
XLogP1.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.59
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoroethoxy)-1-methoxypropane
CID 175717335
methane;1-methoxy-2-(2-methoxypropoxy)propane
CID 161499840
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
3-(1-methoxypropan-2-yloxymethyl)pentan-3-amine
CID 64573572
1,2-dimethoxypropane;thulium
CID 175866702
1,2-dimethoxypropane;ytterbium
CID 175853617
1,2-dimethoxypropane;holmium
CID 175853773
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-3-methylbutane
CID 140766822
CID 162272100
CID 162272100
1-bromo-4-[(2S)-1-methoxypropan-2-yl]oxybutane
CID 75406718
1-(1-chloropropan-2-yloxy)-2-(methoxymethoxy)propane
CID 158750835
5-(1-methoxypropan-2-yloxy)pent-2-yne
CID 87214336

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethoxy)-1-methoxypropane?
The IUPAC name of 2-(chloromethoxy)-1-methoxypropane (CID 79529090) is 2-(chloromethoxy)-1-methoxypropane.
What is the SMILES notation for 2-(chloromethoxy)-1-methoxypropane?
The canonical SMILES for 2-(chloromethoxy)-1-methoxypropane is COCC(C)OCCl.
What is the InChIKey of 2-(chloromethoxy)-1-methoxypropane?
The InChIKey is SOBDTEVXJFKCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO2/c1-5(3-7-2)8-4-6/h5H,3-4H2,1-2H3.
What are the key properties of 2-(chloromethoxy)-1-methoxypropane?
2-(chloromethoxy)-1-methoxypropane has a molecular weight of 138.59 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxy)-1-methoxypropane is sourced from PubChem (CID 79529090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).