1,1-dichloro-1-propoxypropane

C6H12Cl2O — CID 87434594

IUPAC1,1-dichloro-1-propoxypropane
SMILESCCCOC(Cl)(Cl)CC
InChIInChI=1S/C6H12Cl2O/c1-3-5-9-6(7,8)4-2/h3-5H2,1-2H3
InChIKeyUFLXLVHVFCSXIR-UHFFFAOYSA-N
MW171.07 g/mol
LogP2.95
Rot. Bonds4

About 1,1-dichloro-1-propoxypropane

1,1-dichloro-1-propoxypropane (PubChem CID 87434594) has the molecular formula C6H12Cl2O and a molecular weight of 171.07 g/mol. Its IUPAC name is 1,1-dichloro-1-propoxypropane.

Molecular Properties

Compound Name1,1-dichloro-1-propoxypropane
PubChem CID87434594
Molecular FormulaC6H12Cl2O
Molecular Weight171.07 g/mol
Exact Mass170.03
IUPAC Name1,1-dichloro-1-propoxypropane
SMILESCCCOC(Cl)(Cl)CC
InChIInChI=1S/C6H12Cl2O/c1-3-5-9-6(7,8)4-2/h3-5H2,1-2H3
InChIKeyUFLXLVHVFCSXIR-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.07
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1-dichloro-1-(1,1-dichloropropylperoxy)propane
CID 156787145
1-(1,1-dipropoxyethoxy)propane
CID 21433420
methane;tris(2-methyl-2-propoxypropane)
CID 160767059
1,1-dipropoxyethylsilane
CID 173115072
1-methoxy-2-methyl-2-propoxybutane
CID 122692846
propoxy(trichloromethyl)silane
CID 154081692
2,2-dichloro-1-propoxypropane
CID 91753628
1,2,2,2-tetrapropoxyethane-1,1-diamine
CID 140586071
1,1-dipropoxypropyl-dimethoxy-methylsilane
CID 175337498
1-chloro-3-iodo-2-methyl-2-propoxypropane
CID 114772009
butane;tetrachloromethane
CID 175704167
1-(trichloromethoxy)hexane
CID 87956638

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1-propoxypropane?
The IUPAC name of 1,1-dichloro-1-propoxypropane (CID 87434594) is 1,1-dichloro-1-propoxypropane.
What is the SMILES notation for 1,1-dichloro-1-propoxypropane?
The canonical SMILES for 1,1-dichloro-1-propoxypropane is CCCOC(Cl)(Cl)CC.
What is the InChIKey of 1,1-dichloro-1-propoxypropane?
The InChIKey is UFLXLVHVFCSXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12Cl2O/c1-3-5-9-6(7,8)4-2/h3-5H2,1-2H3.
What are the key properties of 1,1-dichloro-1-propoxypropane?
1,1-dichloro-1-propoxypropane has a molecular weight of 171.07 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1-propoxypropane is sourced from PubChem (CID 87434594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).