1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol

C9H19ClO3 — CID 101356473

IUPAC1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESCC(O)COC(C)COC(C)CCl
InChIInChI=1S/C9H19ClO3/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-9,11H,4-6H2,1-3H3
InChIKeyPEVSIBPMRMWDRD-UHFFFAOYSA-N
MW210.70 g/mol
LogP1.42
Rot. Bonds7

About 1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol

1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol (PubChem CID 101356473) has the molecular formula C9H19ClO3 and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol
PubChem CID101356473
Molecular FormulaC9H19ClO3
Molecular Weight210.70 g/mol
Exact Mass210.10
IUPAC Name1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESCC(O)COC(C)COC(C)CCl
InChIInChI=1S/C9H19ClO3/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-9,11H,4-6H2,1-3H3
InChIKeyPEVSIBPMRMWDRD-UHFFFAOYSA-N
XLogP1.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 51.42
H-Bond Donors ≤ 51
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-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol (CID 101356473) is 1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol is CC(O)COC(C)COC(C)CCl.
What is the InChIKey of 1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The InChIKey is PEVSIBPMRMWDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO3/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol?
1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol has a molecular weight of 210.70 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-chloropropan-2-yloxy)propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 101356473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).