1,1-dichloro-2-ethoxypropan-2-ol

C5H10Cl2O2 — CID 141478859

IUPAC1,1-dichloro-2-ethoxypropan-2-ol
SMILESCCOC(C)(O)C(Cl)Cl
InChIInChI=1S/C5H10Cl2O2/c1-3-9-5(2,8)4(6)7/h4,8H,3H2,1-2H3
InChIKeyHMCFBDIMQVIXKK-UHFFFAOYSA-N
MW173.04 g/mol
LogP1.54
Rot. Bonds3

About 1,1-dichloro-2-ethoxypropan-2-ol

1,1-dichloro-2-ethoxypropan-2-ol (PubChem CID 141478859) has the molecular formula C5H10Cl2O2 and a molecular weight of 173.04 g/mol. Its IUPAC name is 1,1-dichloro-2-ethoxypropan-2-ol.

Molecular Properties

Compound Name1,1-dichloro-2-ethoxypropan-2-ol
PubChem CID141478859
Molecular FormulaC5H10Cl2O2
Molecular Weight173.04 g/mol
Exact Mass172.01
IUPAC Name1,1-dichloro-2-ethoxypropan-2-ol
SMILESCCOC(C)(O)C(Cl)Cl
InChIInChI=1S/C5H10Cl2O2/c1-3-9-5(2,8)4(6)7/h4,8H,3H2,1-2H3
InChIKeyHMCFBDIMQVIXKK-UHFFFAOYSA-N
XLogP1.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.04
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
2-chloro-1,1,1-triethoxypropane
CID 152680412
2-ethoxy-3-(3-methoxypropoxy)butan-2-ol
CID 174731703
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
titanium;1,1,2-triethoxy-2-methylpropan-1-ol
CID 87321187
1,2-dichloro-1-ethoxyethanol
CID 141026813
1-amino-2-ethoxypropan-2-ol
CID 174792064
1-ethoxy-1-(1-sulfanylethoxy)ethanol
CID 139775425
(2S)-4-amino-2-ethoxypentan-2-ol
CID 163736531
2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol
CID 170039008

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-ethoxypropan-2-ol?
The IUPAC name of 1,1-dichloro-2-ethoxypropan-2-ol (CID 141478859) is 1,1-dichloro-2-ethoxypropan-2-ol.
What is the SMILES notation for 1,1-dichloro-2-ethoxypropan-2-ol?
The canonical SMILES for 1,1-dichloro-2-ethoxypropan-2-ol is CCOC(C)(O)C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-ethoxypropan-2-ol?
The InChIKey is HMCFBDIMQVIXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2O2/c1-3-9-5(2,8)4(6)7/h4,8H,3H2,1-2H3.
What are the key properties of 1,1-dichloro-2-ethoxypropan-2-ol?
1,1-dichloro-2-ethoxypropan-2-ol has a molecular weight of 173.04 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-ethoxypropan-2-ol is sourced from PubChem (CID 141478859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).